Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.54 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL10013472 | 0.80 | SMPD3 (0.53) | CYP2A6PDPK1SMPD3ADRB2LOXL2 | |
| SCHEMBL3386179 | 0.78 | CYP2A6 (0.53) | CYP2A6PDPK1SMPD3ADRB2LOXL2 | |
| SCHEMBL14908855 | 0.78 | CYP2A6 (0.53) | CYP2A6PDPK1SMPD3ADRB2LOXL2 | |
| SCHEMBL2715410 | 0.78 | CYP2A6 (0.53) | CYP2A6PDPK1SMPD3ADRB2LOXL2 | |
| SCHEMBL252833 | 0.78 | CYP2A6 (0.53) | CYP2A6PDPK1SMPD3ADRB2LOXL2 | |
| SCHEMBL31014248 | 0.77 | SMPD3 (0.51) | CYP2A6PDPK1SMPD3ADRB2CYP3A4 | |
| SCHEMBL21282891 | 0.77 | CYP2A6 (0.49) | CYP2A6PDPK1SMPD3ADRB2LOXL2 | |
| SCHEMBL7079127 | 0.75 | PDPK1 (0.67) | CYP2A6PDPK1ADRB2LOXL2CHEK2 | |
| SCHEMBL7939469 | 0.74 | HCRTR2 (0.58) | CYP2A6HCRTR2CYP3A4HCRTR1 | |
| SCHEMBL13025 | 0.74 | PDPK1 (0.60) | CYP2A6PDPK1SMPD3ADRB2LOXL2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3538525-B1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2022-06-22 | — | — | EP | disclosed |
| EP-3538519-B1 | INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2021-07-28 | — | — | EP | disclosed |
| EP-3538528-B1 | PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-12-23 | — | — | EP | disclosed |
| WO-2018089353-A1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |
| WO-2018089360-A1 | PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |
| WO-2018089355-A1 | CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |
| WO-2018089357-A1 | INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |