Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9743357 | 1.00 | GPR84 (0.46) | GPR84THRATHRBCYP3A4CYP2D6 | |
| SCHEMBL424824 | 0.92 | MAOA (0.49) | CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8966315 | 0.90 | KDM4E (0.47) | GPR84THRATHRBCYP3A4CYP2D6 | |
| SCHEMBL8966863 | 0.90 | KDM4E (0.47) | GPR84THRATHRBCYP3A4CYP2D6 | |
| SCHEMBL8966693 | 0.90 | KDM4E (0.47) | GPR84THRATHRBCYP3A4CYP2D6 | |
| SCHEMBL8967318 | 0.86 | NAAA (0.45) | GPR84THRATHRBCYP3A4CYP2D6 | |
| SCHEMBL8966742 | 0.86 | NAAA (0.45) | GPR84THRATHRBCYP3A4CYP2D6 | |
| SCHEMBL21575599 | 0.85 | THRB (0.56) | GPR84THRATHRBMAOAMAOB | |
| SCHEMBL21575598 | 0.85 | THRB (0.56) | GPR84THRATHRBMAOAMAOB | |
| SCHEMBL11569857 | 0.85 | THRB (0.56) | GPR84THRATHRBMAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-5132093-A | SYNERGISTIC CORROSION INHIBITORS BASED ON SUBSTITUTED PYRIDINIUM COMPOUNDS | SRI INTERNATIONAL (US) | 1992-07-21 | — | — | US | disclosed |
| WO-1990001478-A1 | SYNERGISTIC CORROSION INHIBITORS BASED ON SUBSTITUTED PYRIDINIUM COMPOUNDS | SRI INTERNATIONAL (US) | 1990-02-22 | — | — | WO | disclosed |