Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.37 |
| ▸ | ESR1 | P03372 | 7/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11062166 | 0.93 | ESR1 (0.36) | HCAR1HRH4ESR1IDH1CCNT1 | |
| SCHEMBL11054654 | 0.92 | CHRNA7 (0.42) | HCAR1HRH4 | |
| SCHEMBL11050315 | 0.87 | CCNT1 (0.39) | HCAR1HRH4ESR1IDH1CCNT1 | |
| SCHEMBL11052901 | 0.85 | HCAR1 (0.43) | HCAR1ELANE | |
| Hydrochloric Acid SCHEMBL11343420 | 0.84 | HCAR1 (0.42) | HCAR1ELANE | |
| SCHEMBL11059493 | 0.83 | HCAR1 (0.41) | HCAR1ELANECDC7 | |
| SCHEMBL11053098 | 0.82 | HCAR1 (0.43) | HCAR1HRH4ELANE | |
| SCHEMBL11057689 | 0.82 | FGFR1 (0.36) | HCAR1HRH4ESR1IDH1CCNT1 | |
| SCHEMBL11056787 | 0.82 | LCK (0.43) | HCAR1ELANE | |
| SCHEMBL11075777 | 0.81 | HCAR1 (0.39) | HCAR1 |
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 |