Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 6/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7563629 | 0.84 | CYP2A6 (0.44) | CYP1A2PTGS2PTGS1TSHRLMNA | |
| SCHEMBL1210867 | 0.84 | CYP2A6 (0.48) | CYP1A2PTGS2TSHRMAPK1TDP1 | |
| Methane SCHEMBL28759107 | 0.82 | CYP2A6 (0.46) | CYP1A2PTGS2TSHRMAPK1TDP1 | |
| SCHEMBL28245567 | 0.82 | CYP2A6 (0.46) | CYP1A2PTGS2TSHRLMNAMAPT | |
| SCHEMBL9908237 | 0.81 | CA12 (0.56) | CYP1A2PTGS2PTGS1TSHRSLC6A4 | |
| SCHEMBL7644096 | 0.81 | RAB9A (0.42) | TSHRKDM4ELMNAMAPTMAPK1 | |
| SCHEMBL9862848 | 0.78 | CYP1A2 (0.63) | CYP1A2PTGS2PTGS1TSHRSLC6A4 | |
| SCHEMBL4058252 | 0.78 | SLC6A4 (0.45) | CYP1A2PTGS2PTGS1TSHRSLC6A4 | |
| SCHEMBL31376568 | 0.76 | CYP1A2 (0.40) | CYP1A2PTGS2PTGS1TSHRSLC6A4 | |
| SCHEMBL18045052 | 0.76 | CYP1A2 (0.68) | CYP1A2PTGS2PTGS1TSHRSLC6A4 |
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-2001049642-A1 | METHOD FOR PRODUCING DIARYLKETONES AND ACID HALIDES | TESSENDERLO CHEMIE N.V. (BE) | 2001-07-12 | — | — | WO | claimed |
| WO-2002042246-A1 | METHOD FOR THE PREPARATION OF DICHLORODIARYLMETHANES | TESSENDERLO CHEMIE N.V. (BE) | 2002-05-30 | — | — | WO | disclosed |
| WO-2001049642-A1 | METHOD FOR PRODUCING DIARYLKETONES AND ACID HALIDES | TESSENDERLO CHEMIE N.V. (BE) | 2001-07-12 | — | — | WO | disclosed |