Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.31 |
| ▸ | TTPA | P49638 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL7873750 | 0.87 | CYP3A4 (0.46) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7872200 | 0.87 | PTGS1 (0.38) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL12512655 | 0.87 | PTGS1 (0.41) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL7870263 | 0.81 | CYP3A4 (0.46) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8259133 | 0.80 | PTGS1 (0.45) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL5769978 | 0.78 | CYP3A4 (0.46) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL11814542 | 0.73 | PTGS1 (0.38) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL14283910 | 0.72 | CYP3A4 (0.47) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL18027843 | 0.71 | CYP19A1 (0.43) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Apc-100 SCHEMBL633424 | 0.70 | CYP3A4 (0.64) | PTGS1PTGS2CYP1A2CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010121177-A2 | PHARMACEUTICALLY ACTIVE COMPOSITIONS COMPRISING OXIDATIVE STRESS MODULATORS (OSM), NEW CHEMICAL ENTITIES, COMPOSITIONS AND USES | COLBY PHARMACEUTICAL COMPANY (US) | 2010-10-21 | — | — | WO | disclosed |