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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 2/20 | 0.47 |
| ▸ | DRD4 known ✓ | P21917 | 3/20 | 0.44 |
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.44 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.42 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.42 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.42 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.41 |
| ▸ | CACNA1G known ✓ | O43497 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CCR3 | P51677 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1974749 | 0.99 | SIGMAR1 (0.49) | SIGMAR1ATMDRD4DRD2SMN1; SMN2 | |
| SCHEMBL1751581 | 0.90 | HDAC4 (0.44) | SIGMAR1SMN1; SMN2CHRM5CHRM1MEN1 | |
| SCHEMBL2998828 | 0.86 | SIGMAR1 (0.49) | SIGMAR1ATMDRD4DRD2SMN1; SMN2 | |
| SCHEMBL1974828 | 0.84 | S1PR1 (0.49) | SIGMAR1SMN1; SMN2MEN1KMT2AFAAH | |
| SCHEMBL1989472 | 0.83 | POLB (0.47) | SIGMAR1SMN1; SMN2KDM4EALDH1A1LMNA | |
| SCHEMBL1989593 | 0.81 | HRH3 (0.42) | SIGMAR1SMN1; SMN2CHRM5CHRM1KDM4E | |
| SCHEMBL5777725 | 0.80 | SIGMAR1 (0.54) | SIGMAR1ATMSMN1; SMN2MEN1KMT2A | |
| SCHEMBL3206907 | 0.77 | ADORA1 (0.48) | SIGMAR1CHRM5CHRM1MEN1KMT2A | |
| SCHEMBL8363142 | 0.77 | CHRM5 (0.55) | CHRM5CHRM1 | |
| Hydrochloric Acid SCHEMBL4103430 | 0.76 | CHRM2 (0.48) | SIGMAR1CHRM5CHRM1MEN1KMT2A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8344161-B2 | Process for the preparation of pyrollidine-3-carboxylic acids | HOFFMANN-LA ROCHE INC. (US) | 2013-01-01 | — | — | US | claimed |
| CN-102245570-A | Process for the preparation of pyrollidine-3-carboxylic acids | HOFFMANN LA ROCHE | 2011-11-16 | — | — | CN | claimed |
| EP-2379500-A1 | PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS | F. Hoffmann-La Roche AG (CH) | 2011-10-26 | — | — | EP | claimed |
| WO-2010069793-A1 | PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-06-24 | — | — | WO | claimed |
| US-20100152462-A1 | PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS | HOFFMANN-LA ROCHE, INC. | 2010-06-17 | — | — | US | claimed |
| US-8344161-B2 | Process for the preparation of pyrollidine-3-carboxylic acids | HOFFMANN-LA ROCHE INC. (US) | 2013-01-01 | — | — | US | disclosed |
| CN-102245570-A | Process for the preparation of pyrollidine-3-carboxylic acids | HOFFMANN LA ROCHE | 2011-11-16 | — | — | CN | disclosed |
| EP-2379500-A1 | PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS | F. Hoffmann-La Roche AG (CH) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010069793-A1 | PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-06-24 | — | — | WO | disclosed |
| US-20100152462-A1 | PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS | HOFFMANN-LA ROCHE, INC. | 2010-06-17 | — | — | 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 (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-20100152462-A1 | PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS | PYCR1, PYGB, PCCA | SIGMAR1 817/4885DRD4 632/4885DRD2 878/4885 |
“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.