Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | PNMT | P11086 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8161660 | 0.87 | CTSK (0.41) | CYP2D6NFKB1CTSKMEN1KMT2A | |
| SCHEMBL6685393 | 0.77 | PNMT (0.52) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL16951539 | 0.76 | PNMT (0.46) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL15302813 | 0.76 | PNMT (0.46) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL28032086 | 0.75 | ALDH1A1 (0.36) | ALDH1A1CTSKSMN1; SMN2TSHRTDP1 | |
| SCHEMBL11449628 | 0.75 | LMNA (0.42) | ALDH1A1LMNACTSKTDP1CNR2 | |
| SCHEMBL26999258 | 0.74 | TSHR (0.46) | ALDH1A1LMNACTSKMEN1KMT2A | |
| SCHEMBL1482153 | 0.73 | MEN1 (0.42) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL16054054 | 0.73 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6NFKB1PNMT | |
| SCHEMBL6684793 | 0.72 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2D6NFKB1PNMT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000075094-A2 | METHOD FOR PRODUCING A HALOGENATED ACETOPHENONE | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2000-12-14 | — | — | WO | disclosed |