Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1D1 | P20393 | 1/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 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 | |
|---|---|---|---|---|
| SCHEMBL25594290 | 0.90 | CYP1A2 (0.41) | CYP1A2TDP1CHRM2CHRM4CHRM5 | |
| SCHEMBL21569732 | 0.86 | NR1D1 (0.40) | NR1D1CYP1A2TDP1EPHX1EPHX2 | |
| SCHEMBL22183226 | 0.86 | NR1D1 (0.40) | NR1D1CYP1A2TDP1EPHX1EPHX2 | |
| SCHEMBL23323936 | 0.81 | DPP8 (0.34) | EGLN1EPHX2 | |
| SCHEMBL11949253 | 0.78 | MMP1 (0.36) | NR1D1LIMK2 | |
| SCHEMBL8229381 | 0.78 | DPP8 (0.46) | CYP1A2TDP1EPHX1EPHX2BRD4 | |
| SCHEMBL8424182 | 0.78 | DPP8 (0.46) | CYP1A2TDP1EPHX1EPHX2BRD4 | |
| SCHEMBL17002124 | 0.78 | DPP8 (0.46) | CYP1A2TDP1EPHX1EPHX2BRD4 | |
| SCHEMBL12506857 | 0.78 | CYP4F2 (0.38) | NR1D1EPHX1EPHX2BRD4 | |
| SCHEMBL12136949 | 0.78 | MMP1 (0.38) | NR1D1EPHX1EPHX2LIMK2BRD4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3309148-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2018-04-18 | — | — | EP | disclosed |