Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR39 | O43194 | 5/20 | 0.36 |
| ▸ | AXL | P30530 | 2/20 | 0.35 |
| ▸ | FLT3 | P36888 | 2/20 | 0.35 |
| ▸ | TYRO3 | Q06418 | 2/20 | 0.35 |
| ▸ | MERTK | Q12866 | 2/20 | 0.35 |
| ▸ | GAS6 | Q14393 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6321221 | 0.88 | GPR39 (0.42) | GPR39AXLFLT3TYRO3MERTK | |
| SCHEMBL6331061 | 0.78 | GPR39 (0.41) | GPR39AXLFLT3TYRO3MERTK | |
| SCHEMBL6328543 | 0.78 | GPR39 (0.39) | GPR39AXLFLT3TYRO3MERTK | |
| SCHEMBL6322319 | 0.73 | MEN1 (0.37) | GPR39ADRA1DADRA1AADRA1BMEN1 | |
| SCHEMBL7389446 | 0.69 | HTR7 (0.39) | ADRA1DADRA1AADRA1BNPC1CYP1A2 | |
| SCHEMBL8191562 | 0.69 | KDM4E (0.39) | AXLFLT3TYRO3MERTKGAS6 | |
| SCHEMBL6337574 | 0.68 | KDM4E (0.38) | ADRA1DADRA1AADRA1BNPC1CYP1A2 | |
| SCHEMBL7390599 | 0.68 | HTR7 (0.40) | MEN1CYP1A2GAAMAPTCYP2C19 | |
| SCHEMBL6641136 | 0.68 | TGFBR1 (0.40) | CYP1A2CYP2C19HTR7TGFBR1HIF1A | |
| SCHEMBL6640607 | 0.67 | MEN1 (0.42) | MEN1CYP2D6CYP2C9CYP2C19KMT2A |
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-1337251-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Pharma Company (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002102380-A1 | MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-12-27 | — | — | WO | disclosed |