Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 5/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.31 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | GABRE | P78334 | 1/20 | 0.31 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.31 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11157283 | 0.70 | ATR (0.38) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL2489503 | 0.69 | GABRG2 (0.35) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL7053270 | 0.67 | ATR (0.39) | ALDH1A1 | |
| SCHEMBL5172213 | 0.67 | ABCG2 (0.35) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6142202 | 0.66 | KDM4E (0.36) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6142201 | 0.66 | HRH4 (0.52) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL481566 | 0.65 | EGLN1 (0.40) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL8349405 | 0.64 | IGF1R (0.38) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6954527 | 0.64 | GABRA1 (0.35) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL6954525 | 0.64 | HRH4 (0.35) | GABRA1GABRG2GABRB3GABRA3GABRA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0969840-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2001-02-28 | — | — | EP | disclosed |
| EP-0969840-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998042342-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1998-10-01 | — | — | WO | disclosed |