Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.37 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.37 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.37 |
| ▸ | SIRT4 | Q9Y6E7 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10857082 | 0.85 | ALDH1A1 (0.41) | ALDH1A1F7F3SARM1SIRT2 | |
| SCHEMBL10852319 | 0.83 | RECQL (0.39) | ALDH1A1F7F3SARM1SIRT2 | |
| SCHEMBL10849103 | 0.83 | MAOA (0.37) | PTGESALDH1A1AKR1C3HPGDCYP3A4 | |
| SCHEMBL10855623 | 0.81 | RECQL (0.41) | ALDH1A1F7F3SARM1SIRT2 | |
| SCHEMBL10857588 | 0.81 | SYK (0.43) | ALDH1A1F7F3SARM1SIRT2 | |
| SCHEMBL10857088 | 0.79 | RECQL (0.40) | ALDH1A1GAAHPGDCYP3A4CYP2C9 | |
| SCHEMBL10854108 | 0.78 | POLB (0.48) | ALDH1A1POLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10854337 | 0.78 | RECQL (0.39) | ALDH1A1F7F3SARM1SIRT2 | |
| SCHEMBL10853166 | 0.77 | POLB (0.53) | ALDH1A1POLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10856096 | 0.77 | HDAC3 (0.44) | ALDH1A1HPGDPOLBCYP2C9CYP2C19 |
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-4565826-A | HYPOTENSIVE, CARDIONASCULAR, ANTIULCER, ANTISECRETORY, GASTROINTESTINAL DISORDERS | WILLIAM H. RORER, INC. (US) | 1986-01-21 | — | — | US | disclosed |
| US-4436911-A | HYPOTENSIVE, ANTISPASMODIC, ANTIULCER, ANTIPARASITIC | WILLIAM H. RORER, INC. (US) | 1984-03-13 | — | — | US | disclosed |