Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 4/20 | 0.36 |
| ▸ | ACE | P12821 | 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 | |
|---|---|---|---|---|
| SCHEMBL6601242 | 0.95 | CHRM2 (0.39) | CYP3A4TSHRTDP1MAPTAPEX1 | |
| SCHEMBL14941172 | 0.89 | CYP3A4 (0.45) | CYP3A4TSHRTDP1MAPTAPEX1 | |
| SCHEMBL24263513 | 0.85 | CYP3A4 (0.38) | CYP3A4TSHRTDP1MAPTAPEX1 | |
| Hydrochloric Acid SCHEMBL29001918 | 0.84 | CYP3A4 (0.37) | CYP3A4TSHRTDP1MAPTAPEX1 | |
| SCHEMBL14275832 | 0.77 | CYP3A4 (0.41) | CYP3A4TSHRTDP1MAPTAPEX1 | |
| SCHEMBL9611931 | 0.77 | CYP3A4 (0.41) | CYP3A4TSHRTDP1MAPTAPEX1 | |
| Hydrochloric Acid SCHEMBL320458 | 0.76 | CYP3A4 (0.39) | CYP3A4TSHRTDP1MAPTAPEX1 | |
| Hydrochloric Acid SCHEMBL15123892 | 0.76 | CYP3A4 (0.39) | CYP3A4TSHRTDP1MAPTAPEX1 | |
| SCHEMBL22123336 | 0.76 | CYP3A4 (0.39) | CYP3A4TSHRTDP1MAPTAPEX1 | |
| SCHEMBL15085592 | 0.75 | POLB (0.37) | CYP3A4TSHRTDP1MAPTAPEX1 |
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-1294716-A1 | LACTAM INHIBITORS OF FACTOR XA AND METHOD | Bristol-Myers Squibb Company (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-2001096331-A1 | LACTAM INHIBITORS OF FACTOR XA AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-12-20 | — | — | WO | disclosed |