Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 3/20 | 0.63 |
| ▸ | CTSK | P43235 | 2/20 | 0.63 |
| ▸ | TACR1 | P25103 | 3/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | CCKBR | P32239 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL8894210 | 0.86 | CTSS (0.60) | CTSSCTSKACECTSLCTSB | |
| SCHEMBL8878454 | 0.85 | PSMB1 (0.56) | CTSSCTSKMMP9PTPN1 | |
| SCHEMBL4600435 | 0.85 | CTSS (0.76) | CTSSCTSKCYP3A4ACECTSL | |
| SCHEMBL613640 | 0.85 | CTSS (0.76) | CTSSCTSKCYP3A4ACECTSL | |
| SCHEMBL29401990 | 0.85 | CTSS (0.76) | CTSSCTSKCYP3A4ACECTSL | |
| SCHEMBL4122289 | 0.85 | CTSS (0.76) | CTSSCTSKCYP3A4ACECTSL | |
| SCHEMBL7464043 | 0.83 | CTSS (0.55) | CTSSCTSKTACR1MMP9CYP3A4 | |
| SCHEMBL8343099 | 0.83 | TACR1 (0.75) | CTSSCTSKTACR1ACECTSL | |
| SCHEMBL8343097 | 0.83 | TACR1 (0.75) | CTSSCTSKTACR1ACECTSL | |
| SCHEMBL5552762 | 0.82 | CTSS (0.64) | CTSSCTSKTACR1MMP9ACE |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0593559-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LTD. (GB) | 1994-04-27 | — | — | EP | claimed |
| WO-1993001169-A2 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | claimed |
| US-6329394-B1 | 5HT3 ANTAGONIST AND NK1 RECEPTORS SUBSTANCE P ANTAGONISTS AND OTHER NEUROKININ ANTAGONISTS, IN THE TREATMENT OF EMESIS. | GLAXO GROUP LIMITED (GB) | 2001-12-11 | — | — | US | disclosed |
| US-5547964-A | ANTIEMETIC DURING DRUG THERAPY | GLAXO GROUP LIMITED (GB) | 1996-08-20 | — | — | US | disclosed |
| US-5472978-A | Tachykinin antagonists for treating pain, migraine and antiinflammatory agents | MERCK SHARP & DOHME LTD. (GB) | 1995-12-05 | — | — | US | disclosed |
| EP-0615751-A1 | Use of tachykinin antagonists in the treatment of emesis | GLAXO GROUP LIMITED (GB) | 1994-09-21 | — | — | EP | disclosed |
| EP-0593559-A1 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LTD. (GB) | 1994-04-27 | — | — | EP | disclosed |
| WO-1993001169-A2 | AROMATIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |