Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | PPARA | Q07869 | 2/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8198560 | 0.80 | CYP3A4 (0.60) | ALDH1A1RAB9ANPC1AOC3CYP2E1 | |
| SCHEMBL13680487 | 0.80 | ALDH1A1 (0.49) | ALDH1A1RAB9ANPC1PPARAAOC3 | |
| SCHEMBL8021391 | 0.80 | CYP3A4 (0.49) | ALDH1A1RAB9ANPC1PPARAAOC3 | |
| SCHEMBL7905176 | 0.78 | CYP3A4 (0.58) | ALDH1A1RAB9ANPC1AOC3CYP2E1 | |
| SCHEMBL23328877 | 0.78 | RAB9A (0.60) | ALDH1A1RAB9ANPC1PPARAAOC3 | |
| SCHEMBL13680478 | 0.77 | KDM4E (0.62) | ALDH1A1RAB9ANPC1PPARAKDM4E | |
| Acetic Acid SCHEMBL5472574 | 0.77 | CYP2E1 (0.54) | ALDH1A1RAB9ANPC1CYP2E1CYP3A4 | |
| SCHEMBL13680525 | 0.76 | RAB9A (0.49) | ALDH1A1RAB9ANPC1PPARAAOC3 | |
| SCHEMBL13680522 | 0.76 | RAB9A (0.55) | ALDH1A1RAB9ANPC1KDM4EHPGD | |
| SCHEMBL21873479 | 0.76 | RAB9A (0.54) | ALDH1A1RAB9ANPC1PPARAAOC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |
| US-7582658-B2 | Bicyclic compound | ASAHI KASEI PHARMA CORPORATION (JP) | 2009-09-01 | — | — | US | disclosed |