Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.55 |
| ▸ | CTSS | P25774 | 3/20 | 0.55 |
| ▸ | SYK | P43405 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | KDM4A | O75164 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL12394158 | 0.90 | CTSK (0.49) | CTSKCTSSSYKATMMALT1 | |
| SCHEMBL5269332 | 0.88 | CTSS (0.48) | CTSKCTSSSYKATMCTSB | |
| SCHEMBL7739354 | 0.87 | NPC1 (0.58) | CTSKCTSSSYKATM | |
| SCHEMBL350453 | 0.87 | NPC1 (0.58) | CTSKCTSSSYKATM | |
| SCHEMBL10318066 | 0.87 | CTSK (0.52) | CTSKCTSSSYKATMMALT1 | |
| SCHEMBL10318067 | 0.87 | CTSK (0.52) | CTSKCTSSSYKATMMALT1 | |
| SCHEMBL1624911 | 0.87 | NPC1 (0.58) | CTSKCTSSSYKATM | |
| SCHEMBL19847664 | 0.87 | CTSK (0.52) | CTSKCTSSSYKATMMALT1 | |
| SCHEMBL4751804 | 0.87 | SYK (0.50) | CTSKCTSSSYKATMIDO1 | |
| SCHEMBL19381012 | 0.87 | SYK (0.45) | CTSKCTSSSYKATMKDM4A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0815105-B1 | HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMA INC (US) | 2001-10-04 | — | — | EP | disclosed |
| US-6060484-A | Anti-viral method | ELI LILLY AND COMPANY (US) | 2000-05-09 | — | — | US | disclosed |
| US-5864045-A | Heterocyclic substituted piperazinone derivatives | HOECHST MARION ROUSSEL, INC. (US) | 1999-01-26 | — | — | US | disclosed |
| US-5840726-A | Heterocyclic substituted piperazinone derivatives | HOECHST MARION ROUSSEL INC. (US) | 1998-11-24 | — | — | US | disclosed |
| EP-0815105-A1 | HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | HOECHST MARION ROUSSEL, INC. (US) | 1998-01-07 | — | — | EP | disclosed |
| EP-0806205-A2 | Urea, thiourea and guanidine compounds and their use as anti-viral agents | ELI LILLY AND COMPANY (US) | 1997-11-12 | — | — | EP | disclosed |
| WO-1996028441-A1 | HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-09-19 | — | — | WO | disclosed |