Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 8/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | PPARG | P37231 | 3/20 | 0.56 |
| ▸ | FABP2 | P12104 | 2/20 | 0.56 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | PPARD | Q03181 | 1/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.49 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16265333 | 0.90 | PPARA (0.54) | PPARACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL12166209 | 0.88 | PPARA (0.69) | PPARACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16743455 | 0.85 | PPARA (0.50) | PPARACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1306107 | 0.85 | PPARA (0.60) | PPARACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16265332 | 0.82 | PGR (0.60) | PPARACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL804816 | 0.82 | TRPV1 (0.46) | PPARACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16265334 | 0.82 | TRPV1 (0.49) | PPARACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16743452 | 0.81 | RAB9A (0.71) | CYP1A2CYP3A4CYP2D6CYP2C19MEN1 | |
| SCHEMBL16743652 | 0.81 | NPC1 (0.64) | PPARACYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL1304938 | 0.81 | PPARA (0.74) | PPARACYP1A2CYP3A4CYP2D6CYP2C19 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5472981-A | Treating hemoglobin or blood in vivo or in vitro to modify the affinity of hemoglobin for oxygen | MONTEFIORE MEDICAL CENTER (US) | 1995-12-05 | — | — | US | disclosed |
| US-5292935-A | Carboxyalkoxy-substituted diphenylurea | MONTEFIORE MEDICAL CENTER (US) | 1994-03-08 | — | — | US | disclosed |
| US-5093367-A | Arylureidophenoxymethylpropionic acids which have activity in dissociation of oxygen from hemoglobin | MONTEFIORE MEDICAL CENTER (US) | 1992-03-03 | — | — | US | disclosed |
| EP-0420930-A4 | METHOD OF SYNTHESIS AND NOVEL COMPOUNDS FOR PHARMACEUTICAL USES | — | 1991-12-04 | — | — | EP | disclosed |
| EP-0420930-A1 | METHOD OF SYNTHESIS AND NOVEL COMPOUNDS FOR PHARMACEUTICAL USES | LALEZARI, Iraj (US) | 1991-04-10 | — | — | EP | disclosed |
| US-4921997-A | Method of synthesis and novel compounds for pharmaceutical uses | MONTEFIORE MEDICAL CENTER (US) | 1990-05-01 | — | — | US | disclosed |
| WO-1989012622-A1 | METHOD OF SYNTHESIS AND NOVEL COMPOUNDS FOR PHARMACEUTICAL USES | LALEZARI IRAJ (US) | 1989-12-28 | — | — | WO | disclosed |