Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.34 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL11058477 | 0.93 | HCAR1 (0.40) | ESR1CCNT1CCNE1CDK2CDK9 | |
| SCHEMBL11050315 | 0.93 | CCNT1 (0.39) | ESR1CCNT1CCNE1CDK2CDK9 | |
| SCHEMBL11056764 | 0.88 | CYP1A2 (0.39) | HCAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11054654 | 0.87 | CHRNA7 (0.42) | HRH4HCAR1 | |
| SCHEMBL11057689 | 0.87 | FGFR1 (0.36) | ESR1CCNT1CCNE1CDK2CDK9 | |
| SCHEMBL11057830 | 0.85 | CDK4 (0.41) | HCAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11056389 | 0.85 | ELANE (0.38) | HCAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11059212 | 0.84 | HCAR1 (0.38) | HCAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11054558 | 0.83 | HCAR1 (0.34) | HCAR1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11061665 | 0.83 | KMT2A (0.41) | ELANEMAPTSMN1; SMN2 |
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-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 |