Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5805761 | 0.89 | KRAS (0.43) | POLBMAPTCYP2C9HPGDCNR1 | |
| SCHEMBL8889810 | 0.88 | POLB (0.39) | POLBMAPTCYP2C9HPGDCNR1 | |
| SCHEMBL5805796 | 0.87 | POLB (0.40) | POLBMAPTHPGDCNR1GAA | |
| SCHEMBL998208 | 0.86 | AKR1C2 (0.46) | POLBMAPTCYP2C9PTGS1HPGD | |
| SCHEMBL5154201 | 0.86 | POLB (0.41) | POLBMAPTHPGDCNR1GAA | |
| SCHEMBL8671570 | 0.85 | POLB (0.40) | POLBMAPTPTGS1HPGDCNR1 | |
| SCHEMBL5805625 | 0.85 | PTGS2 (0.38) | POLBMAPTPTGS1HPGDCNR1 | |
| SCHEMBL5808478 | 0.84 | PTGS1 (0.49) | POLBMAPTCYP2C9PTGS1HPGD | |
| SCHEMBL7761162 | 0.84 | PTGS2 (0.39) | POLBMAPTHPGDCNR1TSHR | |
| SCHEMBL8646568 | 0.84 | ALDH1A1 (0.40) | POLBMAPTHPGDGAAALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006099416-A1 | 2-METHYL INDOLE CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-09-21 | — | — | WO | claimed |
| WO-2006099416-A1 | 2-METHYL INDOLE CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-09-21 | — | — | WO | disclosed |
| US-5756531-A | ANTIALLERGENS; ANTIINFLAMMATORY AGENTS | ABBOTT LABORATORIES (US) | 1998-05-26 | — | — | US | disclosed |
| US-5750558-A | ANTIALLERGENS, ANTIINFLAMMATORY AGENTS | ABBOTT LABORATORIES (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1997041100-A1 | IMINOXY DERIVATIVES OF INDOLE AND INDENE COMPOUNDS AS INHIBITORS OF PROSTAGLANDIN BIOSYNTHESIS | ABBOTT LABORATORIES (US) | 1997-11-06 | — | — | WO | disclosed |