Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24405105 | 0.89 | CTSB (0.51) | CYP2C19CYP3A4CYP2C9ALDH1A1CTSL | |
| SCHEMBL6914473 | 0.85 | CYP3A4 (0.65) | CYP2C19CYP3A4CYP2C9TSHRALDH1A1 | |
| SCHEMBL8096744 | 0.83 | CYP3A4 (0.49) | CYP2C19CYP3A4CYP2C9TSHRALDH1A1 | |
| SCHEMBL8096746 | 0.83 | CYP3A4 (0.49) | CYP2C19CYP3A4CYP2C9TSHRALDH1A1 | |
| SCHEMBL8059473 | 0.82 | CYP3A4 (0.46) | CYP2C19CYP3A4CYP2C9TSHRALDH1A1 | |
| SCHEMBL13017759 | 0.82 | CTSB (0.49) | CYP2C19CYP3A4CYP2C9ALDH1A1CTSL | |
| SCHEMBL5981841 | 0.82 | CTSB (0.49) | CYP2C19CYP3A4CYP2C9ALDH1A1CTSL | |
| SCHEMBL7442293 | 0.82 | CTSB (0.49) | CYP2C19CYP3A4CYP2C9ALDH1A1CTSL | |
| SCHEMBL6473457 | 0.82 | IDO1 (0.53) | CYP2C19CYP3A4CYP2C9TSHRALDH1A1 | |
| SCHEMBL6479809 | 0.81 | IDO1 (0.52) | CYP2C19CYP3A4CYP2C9TSHRALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6066662-A | USE IN CONTROL OR PREVENTION OF RHEUMATOID ARTHRITIS AND OSTEOARTHRITIS OR IN THE TREATMENT OF INVASIVE TUMOURS, ATHEROSCLEROSIS OR MULTIPLE SCLEROSIS | HOFFMANN-LA ROCHE INC. (US) | 2000-05-23 | — | — | US | disclosed |
| EP-0763013-A1 | HYDROXYLAMINE DERIVATIVES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-19 | — | — | EP | disclosed |
| WO-1995033709-A1 | HYDROXYLAMINE DERIVATIVES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 1995-12-14 | — | — | WO | disclosed |