Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL6017366 | 0.86 | ALDH1A1 (0.46) | ALDH1A1CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL10271603 | 0.80 | ALDH1A1 (0.41) | ALDH1A1CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL15165102 | 0.79 | ALDH1A1 (0.42) | ALDH1A1CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL172920 | 0.78 | ALDH1A1 (0.40) | ALDH1A1CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL9114456 | 0.78 | ALDH1A1 (0.40) | ALDH1A1CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL31261832 | 0.77 | KDM4E (0.47) | ALDH1A1CYP2C19CYP2D6HSD17B10KDM4E | |
| SCHEMBL523695 | 0.77 | MAPT (0.51) | ALDH1A1CYP2C19ALOX15ESR1ESR2 | |
| SCHEMBL28397568 | 0.75 | ALDH1A1 (0.38) | ALDH1A1CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL9806921 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CYP2C19CYP2D6ALOX15HSD17B10 | |
| SCHEMBL127044 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CYP2C19ALOX15ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5446203-A | Synthesis of haloenones and aryl or alkyl substituted enones or alkenes | NEW YORK UNIVERSITY (US) | 1995-08-29 | — | — | US | disclosed |
| EP-0656878-A4 | SYNTHESIS OF HALOENONES AND ARYL OR ALKYL SUBSTITUTED ENONES OR ALKENES. | — | 1995-07-05 | — | — | EP | disclosed |
| EP-0656878-A1 | SYNTHESIS OF HALOENONES AND ARYL OR ALKYL SUBSTITUTED ENONES OR ALKENES | NEW YORK UNIVERSITY (US) | 1995-06-14 | — | — | EP | disclosed |
| WO-1994005617-A1 | SYNTHESIS OF HALOENONES AND ARYL OR ALKYL SUBSTITUTED ENONES OR ALKENES | NEW YORK UNIVERSITY (US) | 1994-03-17 | — | — | WO | disclosed |