Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.64 |
| ▸ | CTSB | P07858 | 2/20 | 0.64 |
| ▸ | CTSK | P43235 | 2/20 | 0.64 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.55 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | GHSR | Q92847 | 1/20 | 0.52 |
| ▸ | TACR1 | P25103 | 12/20 | 0.51 |
| ▸ | ACE | P12821 | 1/20 | 0.50 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5552762 | 1.00 | CTSS (0.64) | CTSSCTSBCTSKPTPN1MMP9 | |
| SCHEMBL7880090 | 0.93 | CTSS (0.58) | CTSSCTSBCTSKPTPN1MMP9 | |
| SCHEMBL7880118 | 0.90 | CTSS (0.55) | CTSSCTSBCTSKPTPN1MMP9 | |
| SCHEMBL6590575 | 0.89 | CTSB (0.56) | CTSSCTSBCTSKPTPN1MMP9 | |
| SCHEMBL6590570 | 0.89 | CTSB (0.56) | CTSSCTSBCTSKPTPN1MMP9 | |
| SCHEMBL8894210 | 0.89 | CTSS (0.60) | CTSSCTSBCTSKACECACNA1B | |
| SCHEMBL7881440 | 0.87 | PTPN1 (0.66) | CTSSCTSBCTSKPTPN1MMP9 | |
| SCHEMBL6595043 | 0.86 | CTSB (0.55) | CTSSCTSBCTSKPTPN1MMP9 | |
| SCHEMBL6595039 | 0.86 | CTSB (0.55) | CTSSCTSBCTSKPTPN1MMP9 | |
| SCHEMBL6807031 | 0.85 | CTSS (0.54) | CTSSCTSBCTSKACECACNA1B |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0830347-B1 | NOVEL SUBSTITUTED PIPERAZINE DERIVATIVES HAVING TACHYKININ RECEPTOR ANTAGONISTS ACTIVITY | AVENTIS PHARMA INC (US) | 2004-09-22 | — | — | EP | disclosed |
| CN-1098255-C | Novel substituted piperazine derivatives having tachyknin receptor antagonists activity | AVENTIS PHARMA INC (US) | 2003-01-08 | — | — | CN | disclosed |
| CN-1083429-C | Substituted alkyldiamine derivatives and their use as tachykinin antagonists | MERRELL PHARMA INC (US) | 2002-04-24 | — | — | CN | disclosed |
| EP-0767783-B1 | SUBSTITUTED ALKYLDIAMINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERRELL PHARMA INC (US) | 1998-08-19 | — | — | EP | disclosed |
| CN-1181753-A | Novel substituted piperazine derivatives having tachyknin receptor antagonists activity | HOECHST MARION ROUSSEL INC (US) | 1998-05-13 | — | — | CN | disclosed |
| EP-0830347-A1 | NOVEL SUBSTITUTED PIPERAZINE DERIVATIVES HAVING TACHYKININ RECEPTOR ANTAGONISTS ACTIVITY | HOECHST MARION ROUSSEL, INC. (US) | 1998-03-25 | — | — | EP | disclosed |
| US-5672602-A | Substituted piperazine derivatives | HOECHST MARION ROUSSEL, INC. (US) | 1997-09-30 | — | — | US | disclosed |
| CN-1155883-A | Substituted alkyldiamine derivatives and their use as tachykinin antagonists | MERRELL PHARMA INC (US) | 1997-07-30 | — | — | CN | disclosed |
| EP-0767783-A1 | SUBSTITUTED ALKYLDIAMINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-04-16 | — | — | EP | disclosed |
| US-5610140-A | ANALGESICS, ANTIINFLAMMTORY AGENTS; TREATMENT OF ASTHMA | CORTECH, INC. (US) | 1997-03-11 | — | — | US | disclosed |
| US-5597845-A | TACHYKININ ANTAGONISTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-01-28 | — | — | US | disclosed |
| WO-1996032385-A1 | NOVEL SUBSTITUTED PIPERAZINE DERIVATIVES HAVING TACHYKININ RECEPTOR ANTAGONISTS ACTIVITY | HOECHST MARION ROUSSEL, INC. (US) | 1996-10-17 | — | — | WO | disclosed |
| WO-1995035279-A1 | SUBSTITUTED ALKYLDIAMINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERRELL PHARMACEUTICALS INC. (US) | 1995-12-28 | — | — | WO | disclosed |