Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 6/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11060088 | 0.95 | TP53 (0.42) | ALDH1A1TP53CYP3A4TDP1HPGD | |
| Hydrochloric Acid SCHEMBL11556637 | 0.90 | HPGD (0.43) | ALDH1A1TP53HPGDPOLBMEN1 | |
| SCHEMBL11060091 | 0.88 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4TDP1HPGD | |
| SCHEMBL11056901 | 0.87 | HPGD (0.44) | ALDH1A1TP53TDP1HPGDPOLB | |
| SCHEMBL11056521 | 0.86 | HPGD (0.40) | ALDH1A1HPGDPOLBSMN1; SMN2CYP1A2 | |
| SCHEMBL11059343 | 0.86 | HPGD (0.44) | ALDH1A1HPGDPOLBCYP2C19GLA | |
| SCHEMBL11056672 | 0.86 | POLB (0.41) | ALDH1A1TP53CYP3A4TDP1HPGD | |
| SCHEMBL11056380 | 0.85 | ALDH1A1 (0.40) | ALDH1A1TP53CYP3A4TDP1HPGD | |
| SCHEMBL11061902 | 0.85 | SMN1; SMN2 (0.41) | ALDH1A1TP53CYP3A4TDP1SMN1; SMN2 | |
| SCHEMBL11057738 | 0.85 | TDP1 (0.39) | ALDH1A1TP53CYP3A4TDP1HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |
| US-4147804-A | ANTIARRHYTHMIA AGENTS | WILLIAM H. RORER, INC. (US) | 1979-04-03 | — | — | US | disclosed |