Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 4/20 | 0.58 |
| ▸ | GSK3B known ✓ | P49841 | 2/20 | 0.53 |
| ▸ | PIM2 | Q9P1W9 | 10/20 | 0.73 |
| ▸ | PIM1 | P11309 | 9/20 | 0.73 |
| ▸ | PIM3 | Q86V86 | 9/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | TTR | P02766 | 3/20 | 0.57 |
| ▸ | NAT1 | P18440 | 1/20 | 0.53 |
| ▸ | IGF1R | P08069 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.51 |
| ▸ | TDP2 | O95551 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | CASP9 | P55211 | 1/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.49 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL6293323 | 1.00 | PIM2 (0.73) | PIM2PIM1PIM3MEN1KMT2A | |
| Water SCHEMBL6293321 | 1.00 | PIM2 (0.73) | PIM2PIM1PIM3MEN1KMT2A | |
| SCHEMBL5606599 | 0.99 | PIM2 (0.74) | PIM2PIM1PIM3MEN1KMT2A | |
| SCHEMBL1579417 | 0.99 | PIM2 (0.74) | PIM2PIM1PIM3MEN1KMT2A | |
| SCHEMBL1579117 | 0.99 | PIM2 (0.74) | PIM2PIM1PIM3MEN1KMT2A | |
| SCHEMBL13537656 | 0.87 | PIM1 (0.80) | PIM2PIM1PIM3MEN1KMT2A | |
| SCHEMBL10090250 | 0.86 | NAT1 (0.60) | PIM2PIM1PIM3MEN1KMT2A | |
| SCHEMBL2065290 | 0.86 | NAT1 (0.60) | PIM2PIM1PIM3MEN1KMT2A | |
| SCHEMBL2065291 | 0.86 | NAT1 (0.60) | PIM2PIM1PIM3MEN1KMT2A | |
| SCHEMBL2420575 | 0.85 | PIM2 (0.70) | PIM2PIM1PIM3MEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6921760-B2 | Aralkyl and aralkylidene heterocyclic lactams and imides | PFIZER INC. (US) | 2005-07-26 | — | — | US | disclosed |
| US-6627627-B2 | Useful as psychotherapeutic agents | PFIZER INC. | 2003-09-30 | — | — | US | disclosed |
| EP-0929528-B1 | ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES | PFIZER (US) | 2003-07-23 | — | — | EP | disclosed |
| US-6562813-B2 | Psychological disorders; antiserotonin agents; headache therapy | PFIZER INC. | 2003-05-13 | — | — | US | disclosed |
| US-6472388-B2 | PSYCHOTHERAPEUTIC AGENTS. | PFIZER INC | 2002-10-29 | — | — | US | disclosed |
| US-20020147194-A1 | Aralkyl and aralkylidene heterocyclic lactams and imides | PFIZER INC. | 2002-10-10 | — | — | US | disclosed |
| US-6423708-B1 | Aralkyl and aralkylidene heterocyclic lactams and imides | PFIZER INC | 2002-07-23 | — | — | US | disclosed |
| US-20020091117-A1 | ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES | PFIZER INC. | 2002-07-11 | — | — | US | disclosed |
| US-20020091119-A1 | Aralkyl and aralkylidene heterocyclic lactams and imides | PFIZER INC. | 2002-07-11 | — | — | US | disclosed |
| US-20020072519-A1 | Aralkyl and aralkylidene heterocyclic lactams and imides | PFIZER INC. | 2002-06-13 | — | — | US | disclosed |
| US-6380186-B1 | PSYCHOTHERAPEUTIC AGENTS | PFIZER INC | 2002-04-30 | — | — | US | disclosed |
| US-20020049214-A1 | Aralkyl and aralkylidene heterocyclic lactams and imides | PFIZER PRODUCTS INC. | 2002-04-25 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020091119-A1 | Aralkyl and aralkylidene heterocyclic lactams and imides | MRPL21, ARAF, ARL1 | MEN1 863/4885GSK3B 710/4885PIM2 646/4885 |
| US-20020147194-A1 | Aralkyl and aralkylidene heterocyclic lactams and imides | MRPL21, ARAF, ARL1 | MEN1 863/4885GSK3B 710/4885PIM2 646/4885 |
| US-20020049214-A1 | Aralkyl and aralkylidene heterocyclic lactams and imides | MRPL21, ARAF, ARL1 | MEN1 698/4885GSK3B 568/4885PIM2 620/4885 |
| US-20020072519-A1 | Aralkyl and aralkylidene heterocyclic lactams and imides | MRPL21, ARAF, ARL1 | MEN1 863/4885GSK3B 710/4885PIM2 646/4885 |
| US-20020091117-A1 | ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES | MRPL21, ARAF, ARL1 | MEN1 863/4885GSK3B 710/4885PIM2 646/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.