Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 5/20 | 0.41 |
| ▸ | TPH1 | P17752 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | GHSR | Q92847 | 1/20 | 0.36 |
| ▸ | F9 | P00740 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | F11 | P03951 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5504455 | 0.88 | KLK1 (0.39) | HDAC8F9ATRF11KLKB1 | |
| SCHEMBL392548 | 0.86 | F9 (0.47) | MYCHDAC8F9AKT1ATR | |
| SCHEMBL392623 | 0.77 | CPA1 (0.41) | TPH1HDAC8ATRFAAHF11 | |
| SCHEMBL392266 | 0.76 | CPA1 (0.42) | HDAC8F11KLKB1 | |
| SCHEMBL393689 | 0.75 | AR (0.41) | TPH1HDAC8F11KLKB1ABCB1 | |
| SCHEMBL390066 | 0.75 | HDAC8 (0.42) | HDAC8ATRF11KLKB1MAPK8 | |
| SCHEMBL390067 | 0.75 | HDAC8 (0.42) | HDAC8ATRF11KLKB1MAPK8 | |
| SCHEMBL392698 | 0.74 | KDM4E (0.47) | F11KLKB1 | |
| SCHEMBL5517905 | 0.74 | KDM4E (0.47) | F11KLKB1 | |
| SCHEMBL394811 | 0.74 | TACR3 (0.38) | MYCF11KLKB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773786-A2 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2005123050-A2 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-29 | — | — | WO | disclosed |