Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.52 |
| ▸ | ESR1 | P03372 | 8/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | BCR | P11274 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL49667 | 1.00 | CYP1A2 (0.56) | CYP1A2CYP2A6ALOX15ESR1ESR2 | |
| SCHEMBL30060950 | 1.00 | CYP1A2 (0.56) | CYP1A2CYP2A6ALOX15ESR1ESR2 | |
| Potassium SCHEMBL31249479 | 0.97 | CYP1A2 (0.54) | CYP1A2CYP2A6ALOX15ESR1ESR2 | |
| Methane SCHEMBL10835252 | 0.97 | CYP1A2 (0.54) | CYP1A2CYP2A6ALOX15ESR1ESR2 | |
| Potassium SCHEMBL31249478 | 0.97 | CYP1A2 (0.54) | CYP1A2CYP2A6ALOX15ESR1ESR2 | |
| SCHEMBL11136750 | 0.95 | CYP1A2 (0.52) | CYP1A2CYP2A6ALOX15ESR1ESR2 | |
| SCHEMBL534661 | 0.92 | CYP1A2 (0.54) | CYP1A2CYP2A6ALOX15ESR1ESR2 | |
| SCHEMBL30970426 | 0.92 | CYP1A2 (0.54) | CYP1A2CYP2A6ALOX15ESR1ESR2 | |
| SCHEMBL31398211 | 0.92 | CYP1A2 (0.54) | CYP1A2CYP2A6ALOX15ESR1ESR2 | |
| Methoxymethane SCHEMBL27914657 | 0.91 | ABL1 (0.48) | CYP1A2CYP2A6ALOX15ESR1ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007000329-A2 | EPOXIDATION OF ALPHA, BETA-UNSATURATED KETONES | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-04 | — | — | WO | disclosed |
| EP-0938488-A1 | PHOSPHINE LIGANDS | OXFORD ASYMMETRY INTERNATIONAL PLC (GB) | 1999-09-01 | — | — | EP | disclosed |
| WO-1998012202-A1 | PHOSPHINE LIGANDS | OXFORD ASYMMETRY INTERNATIONAL PLC. (GB) | 1998-03-26 | — | — | WO | disclosed |