Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | LTA4H | P09960 | 1/20 | 0.54 |
| ▸ | XIAP | P98170 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CIT | O14578 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14670283 | 1.00 | TAAR1 (0.62) | TAAR1SMN1; SMN2LTA4HXIAPMAPT | |
| SCHEMBL11648108 | 0.92 | SMN1; SMN2 (0.64) | TAAR1SMN1; SMN2LTA4HXIAPHPGD | |
| SCHEMBL11644342 | 0.91 | MEN1 (0.54) | TAAR1SMN1; SMN2LTA4HXIAPMAPT | |
| SCHEMBL11642552 | 0.89 | CA1 (0.51) | TAAR1SMN1; SMN2LTA4HXIAPMAPT | |
| SCHEMBL11642578 | 0.88 | TAAR1 (0.50) | TAAR1SMN1; SMN2LTA4HXIAPMAPT | |
| SCHEMBL16981649 | 0.84 | HTT (0.66) | TAAR1SMN1; SMN2LTA4HXIAPHPGD | |
| SCHEMBL15244875 | 0.82 | TAAR1 (0.86) | TAAR1SMN1; SMN2LTA4HXIAPMAPT | |
| SCHEMBL26347292 | 0.82 | L3MBTL1 (0.59) | TAAR1SMN1; SMN2LTA4HMAPTHPGD | |
| SCHEMBL30503502 | 0.82 | L3MBTL1 (0.59) | TAAR1SMN1; SMN2LTA4HMAPTHPGD | |
| SCHEMBL11641056 | 0.82 | MTNR1B (0.60) | TAAR1SMN1; SMN2LTA4HXIAPHPGD |
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-2152664-B1 | DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-09-03 | — | — | EP | disclosed |
| US-8367709-B2 | Dipeptide analogs as coagulation factor inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-02-05 | — | — | US | disclosed |