Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7776734 | 0.77 | ALDH1A1 (0.41) | ALDH1A1RAB9ACXCR3 | |
| SCHEMBL517221 | 0.77 | — | — | |
| SCHEMBL3966810 | 0.75 | ALDH1A1 (0.40) | ALDH1A1RAB9ACXCR3 | |
| SCHEMBL15457506 | 0.75 | ALDH1A1 (0.40) | ALDH1A1RAB9ACXCR3 | |
| SCHEMBL31671011 | 0.71 | ALDH1A1 (0.41) | ALDH1A1RAB9ACXCR3 | |
| SCHEMBL516345 | 0.71 | ALDH1A1 (0.39) | ALDH1A1RAB9A | |
| SCHEMBL10870183 | 0.70 | ALDH1A1 (0.44) | ALDH1A1RAB9ACXCR3 | |
| SCHEMBL15457509 | 0.70 | ALDH1A1 (0.37) | ALDH1A1RAB9ACXCR3 | |
| SCHEMBL5697315 | 0.69 | ALDH1A1 (0.38) | ALDH1A1RAB9ACXCR3 | |
| SCHEMBL517183 | 0.69 | ALDH1A1 (0.34) | ALDH1A1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0413464-A2 | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-02-20 | — | — | EP | disclosed |
| EP-0413465-A2 | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-02-20 | — | — | EP | disclosed |
| EP-0405786-A2 | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-02 | — | — | EP | disclosed |
| US-4981827-A | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-01 | — | — | US | disclosed |
| EP-0323082-A2 | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-07-05 | — | — | EP | disclosed |