Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | RORB | Q92753 | 11/20 | 0.39 |
| ▸ | RORC | P51449 | 5/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | VNN1 | O95497 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4708632 | 0.93 | RORB (0.42) | IDH1RORBRORCGABRA2GABRB2 | |
| SCHEMBL4705407 | 0.93 | RORB (0.42) | RORBRORCGABRA2GABRB2ALDH1A1 | |
| Water SCHEMBL4707271 | 0.92 | RORB (0.41) | RORBRORCGABRA2GABRB2ALDH1A1 | |
| Water SCHEMBL4707272 | 0.92 | RORB (0.41) | RORBRORCGABRA2GABRB2ALDH1A1 | |
| SCHEMBL6389497 | 0.92 | IDH1 (0.42) | IDH1RORBRORCF2GPBAR1 | |
| SCHEMBL4707462 | 0.92 | RORB (0.41) | IDH1RORBRORC | |
| SCHEMBL4708323 | 0.89 | RORB (0.38) | IDH1RORBRORCGPBAR1CYP2D6 | |
| SCHEMBL4706229 | 0.89 | IDH1 (0.44) | IDH1RORBRORCGPBAR1VNN1 | |
| SCHEMBL4708328 | 0.85 | RORB (0.41) | RORBRORC | |
| SCHEMBL4706981 | 0.85 | IDH1 (0.42) | IDH1RORBRORCVNN1CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1971582-B1 | MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS | BRISTOL MYERS SQUIBB CO (US) | 2012-10-10 | — | — | EP | disclosed |
| EP-1971582-A1 | MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS | Brystol-Myers Squibb Company (US) | 2008-09-24 | — | — | EP | disclosed |
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |
| WO-2007076431-A1 | MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-07-05 | — | — | WO | disclosed |