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 | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.55 |
| ▸ | HDAC3 known ✓ | O15379 | 7/20 | 0.48 |
| ▸ | HDAC4 known ✓ | P56524 | 7/20 | 0.48 |
| ▸ | HDAC1 known ✓ | Q13547 | 7/20 | 0.48 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 7/20 | 0.48 |
| ▸ | HDAC2 known ✓ | Q92769 | 7/20 | 0.48 |
| ▸ | HDAC10 known ✓ | Q969S8 | 7/20 | 0.48 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 7/20 | 0.48 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 7/20 | 0.48 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 7/20 | 0.48 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 7/20 | 0.48 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 7/20 | 0.48 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.51 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.51 |
| ▸ | SRC | P12931 | 5/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12986809 | 0.99 | ALOX5 (0.56) | ALOX5HSD17B1HSD17B2HDAC3HDAC4 | |
| SCHEMBL11815716 | 0.84 | SRC (0.61) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29050534 | 0.83 | SRC (0.63) | ALOX5HSD17B1HSD17B2HDAC3HDAC4 | |
| SCHEMBL13172900 | 0.81 | SRC (0.52) | ALOX5HSD17B1HSD17B2HDAC3HDAC4 | |
| Water SCHEMBL12985936 | 0.80 | SRC (0.41) | ALOX5HSD17B1HSD17B2HDAC3HDAC4 | |
| SCHEMBL18760619 | 0.80 | ALOX5 (0.56) | ALOX5HSD17B1HSD17B2HDAC3HDAC4 | |
| SCHEMBL28400450 | 0.79 | HDAC3 (0.54) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL29862908 | 0.79 | HDAC3 (0.54) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL30737470 | 0.77 | ALOX5 (0.57) | ALOX5HSD17B1HSD17B2HDAC3HDAC4 | |
| SCHEMBL30737267 | 0.76 | HDAC3 (0.48) | ALOX5HSD17B1HSD17B2HDAC3HDAC4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140364415-A1 | PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS | PFIZER LIMITED (GB) | 2014-12-11 | — | — | US | disclosed |
| CN-103534257-A | Pyrrolo [2, 3 -d] pyrimidine derivatives as inhibitors of tropomyosin- related kinases | PFIZER | 2014-01-22 | — | — | CN | 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 (1 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-20140364415-A1 | PYRROLO[2,3-d]PYRIMIDINE TROPOMYSIN-RELATED KINASE INHIBITORS | DMPK, DTYMK, MUSK | ALOX5 4853/4885HDAC3 2621/4885HDAC4 3609/4885 |
“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.