Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.53 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.51 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.50 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.48 |
| ▸ | CTSL | P07711 | 4/20 | 0.47 |
| ▸ | CTSB | P07858 | 3/20 | 0.47 |
| ▸ | CTSS | P25774 | 3/20 | 0.47 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7451931 | 1.00 | TACR1 (0.53) | TACR1CTRB1SSTR1AAK1CTSL | |
| SCHEMBL3346730 | 1.00 | TACR1 (0.53) | TACR1CTRB1SSTR1AAK1CTSL | |
| SCHEMBL7421358 | 0.89 | FPR2 (0.51) | TACR1CTRB1SSTR1AAK1CTSL | |
| SCHEMBL14923445 | 0.88 | AAK1 (0.61) | AAK1CTSLCTSBCTSSCTSK | |
| SCHEMBL7466643 | 0.88 | AAK1 (0.61) | AAK1CTSLCTSBCTSSCTSK | |
| SCHEMBL7466082 | 0.88 | AAK1 (0.61) | AAK1CTSLCTSBCTSSCTSK | |
| SCHEMBL7418294 | 0.87 | FPR2 (0.53) | SSTR1AAK1CTSLCTSBCTSS | |
| Trifluoroacetic Acid SCHEMBL8540672 | 0.85 | AAK1 (0.55) | AAK1CTSLCTSBCTSSCTSK | |
| SCHEMBL391686 | 0.84 | CYP1A2 (0.47) | CYP3A4 | |
| SCHEMBL27724873 | 0.84 | CYP1A2 (0.47) | CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0874842-B1 | MERCAPTOALKYLPEPTIDYL COMPOUNDS HAVING AN IMIDAZOLE SUBSTITUENT AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES (MMP) AND/OR TUMOUR NECROSIS FACTOR (TNF) | DARWIN DISCOVERY LTD (GB) | 2002-04-10 | — | — | EP | disclosed |
| US-6048841-A | ENZYME INHIBITOR; ANTAGONIST AGAINST TUMOR NECROSIS FACTOR | DARWIN DISCOVERY, LTD. (GB) | 2000-04-11 | — | — | US | disclosed |
| EP-0874842-A1 | MERCAPTOALKYLPEPTIDYL COMPOUNDS HAVING AN IMIDAZOLE SUBSTITUENT AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES (MMP) AND/OR TUMOUR NECROSIS FACTOR (TNF) | Darwin Discovery Limited (GB) | 1998-11-04 | — | — | EP | disclosed |
| US-5733882-A | Retroviral protease inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1998-03-31 | — | — | US | disclosed |
| WO-1997019075-A1 | MERCAPTOALKYLPEPTIDYL COMPOUNDS HAVING AN IMIDAZOLE SUBSTITUENT AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES (MMP) AND/OR TUMOUR NECROSIS FACTOR (TNF) | DARWIN DISCOVERY LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |
| WO-1993002057-A1 | RETROVIRAL PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-02-04 | — | — | WO | disclosed |