Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.48 |
| ▸ | PI4KA | P42356 | 2/20 | 0.47 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.47 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.47 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.47 |
| ▸ | GABRP | O00591 | 2/20 | 0.44 |
| ▸ | GABRD | O14764 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.44 |
| ▸ | GABRE | P78334 | 2/20 | 0.44 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.44 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.44 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3964347 | 0.86 | MAP4K4 (0.51) | PI4KAPI4K2BPI4K2API4KBLIMK1 | |
| SCHEMBL8276504 | 0.81 | CSNK2A1 (0.48) | XDHPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL6768352 | 0.81 | TDP1 (0.43) | KDM4ERECQLTDP1NPC1RAB9A | |
| SCHEMBL16447569 | 0.79 | TDP1 (0.54) | KDM4ETDP1NPC1RAB9AHKDC1 | |
| SCHEMBL4968804 | 0.79 | PDE4A (0.47) | KDM4ERECQLTDP1NPC1RAB9A | |
| 4-Aminoquinazoline SCHEMBL28259933 | 0.78 | PI4KA (0.70) | XDHPI4KAPI4K2BPI4K2API4KB | |
| Hydrochloric Acid SCHEMBL6332115 | 0.78 | PDE4A (0.46) | KDM4ERECQLTDP1NPC1RAB9A | |
| SCHEMBL437621 | 0.76 | NR4A2 (0.54) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL14568169 | 0.74 | MAP4K4 (0.68) | LIMK1MAP4K4 | |
| SCHEMBL4431055 | 0.74 | MAP4K4 (0.54) | PI4KAPI4K2BPI4K2API4KBLIMK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773786-B1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-04-26 | — | — | EP | disclosed |
| EP-1841504-B1 | SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-11-19 | — | — | EP | disclosed |
| EP-1773775-B1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-08-17 | — | — | EP | disclosed |
| WO-2005123050-A2 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-29 | — | — | WO | disclosed |