Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.32 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.32 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2578522 | 0.86 | GNAI3 (0.43) | MEN1KMT2AALDH1A1MAPTGNAI3 | |
| SCHEMBL9698366 | 0.79 | L3MBTL1 (0.40) | L3MBTL1MEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL8537023 | 0.78 | TSHR (0.35) | TDP1ALDH1A1CYP2D6TSHRCYP2C19 | |
| SCHEMBL30607042 | 0.75 | SLC6A2 (0.43) | MEN1KMT2AALDH1A1 | |
| SCHEMBL20759437 | 0.72 | — | — | |
| SCHEMBL28614341 | 0.72 | L3MBTL1 (0.32) | L3MBTL1MEN1KMT2ATDP1ALDH1A1 | |
| SCHEMBL7525549 | 0.71 | GNAI3 (0.33) | GNAI3GNAO1GNAI1 | |
| SCHEMBL607576 | 0.71 | FDPS (0.40) | MEN1KMT2ATDP1ALDH1A1CA2 | |
| SCHEMBL21757146 | 0.71 | CYP1A2 (0.30) | — | |
| SCHEMBL607577 | 0.71 | FDPS (0.40) | MEN1KMT2ATDP1ALDH1A1CA2 |
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-3538526-A1 | CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS | Bristol-Myers Squibb Company (US) | 2019-09-18 | — | — | EP | 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 |