Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRB3 | P28472 | 15/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 15/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 15/20 | 0.40 |
| ▸ | GABRP | O00591 | 11/20 | 0.40 |
| ▸ | GABRD | O14764 | 11/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 11/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 11/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 11/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 11/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 11/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 11/20 | 0.40 |
| ▸ | GABRE | P78334 | 11/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 11/20 | 0.40 |
| ▸ | GABRG1 | Q8N1C3 | 11/20 | 0.40 |
| ▸ | GABRG3 | Q99928 | 11/20 | 0.40 |
| ▸ | GABRQ | Q9UN88 | 11/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11061906 | 0.84 | CDK4 (0.36) | CDK4CCND1LCKKITSRC | |
| SCHEMBL11056827 | 0.81 | HCAR1 (0.36) | CDK4CCND1LCKKITSRC | |
| SCHEMBL11402688 | 0.79 | SRC (0.37) | CDK4CCND1LCKKITSRC | |
| SCHEMBL11055534 | 0.78 | LCK (0.36) | LCKKITSRCKDR | |
| SCHEMBL11052944 | 0.76 | CRHR1 (0.38) | LCKKITSRCKDR | |
| SCHEMBL11054591 | 0.76 | CHRNA7 (0.46) | SRC | |
| SCHEMBL11059092 | 0.74 | HCAR1 (0.35) | — | |
| SCHEMBL11052927 | 0.73 | HCAR1 (0.33) | LCKKITSRCKDR | |
| SCHEMBL11060075 | 0.73 | HCAR1 (0.37) | LCKKITSRC | |
| SCHEMBL31226374 | 0.72 | GABRP (0.51) | GABRB3GABRA2GABRB2GABRPGABRD |
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 |