Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.55 |
| ▸ | CTSS | P25774 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 1/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.46 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.46 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.45 |
| ▸ | TACR1 | P25103 | 8/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6595039 | 1.00 | CTSB (0.55) | CTSBCTSSCTSKPTPN1NPC1 | |
| SCHEMBL7881440 | 0.88 | PTPN1 (0.66) | CTSBCTSSCTSKPTPN1MMP9 | |
| SCHEMBL5552762 | 0.86 | CTSS (0.64) | CTSBCTSSCTSKPTPN1MMP9 | |
| SCHEMBL6589174 | 0.86 | CTSS (0.64) | CTSBCTSSCTSKPTPN1MMP9 | |
| SCHEMBL27390066 | 0.86 | ITGA4 (0.45) | CTSBCTSSCTSKPTPN1NPC1 | |
| SCHEMBL7880090 | 0.86 | CTSS (0.58) | CTSBCTSSCTSKPTPN1MMP9 | |
| SCHEMBL29436793 | 0.82 | CTSS (0.63) | CTSBCTSSCTSKPTPN1MMP9 | |
| SCHEMBL22255804 | 0.82 | CTSS (0.63) | CTSBCTSSCTSKPTPN1MMP9 | |
| SCHEMBL5993911 | 0.82 | CTSS (0.63) | CTSBCTSSCTSKPTPN1MMP9 | |
| SCHEMBL6590570 | 0.82 | CTSB (0.56) | CTSBCTSSCTSKPTPN1MMP9 |
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 11 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 |
| 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-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 |