Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 3/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 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 | |
|---|---|---|---|---|
| SCHEMBL27621428 | 0.88 | CYP1A2 (0.48) | CYP1A2TSHRCYP2C19HIF1AALDH1A1 | |
| SCHEMBL8166176 | 0.86 | CYP1A2 (0.44) | CYP1A2TSHRCYP2C19HIF1AALDH1A1 | |
| SCHEMBL28021844 | 0.86 | CYP1A2 (0.47) | CYP1A2TSHRCYP2C19HIF1AALDH1A1 | |
| SCHEMBL19656194 | 0.81 | CYP1A2 (0.42) | CYP1A2TSHRCYP2C19HIF1AALDH1A1 | |
| SCHEMBL8161300 | 0.78 | CYP1A2 (0.52) | CYP1A2TSHRCYP2C19HIF1AALDH1A1 | |
| SCHEMBL8375768 | 0.76 | TSHR (0.46) | CYP1A2TSHRCYP2C19HIF1AALDH1A1 | |
| SCHEMBL6548609 | 0.74 | HIF1A (0.57) | CYP1A2TSHRCYP2C19HIF1AALDH1A1 | |
| SCHEMBL11814132 | 0.73 | TSHR (0.48) | CYP1A2TSHRCYP2C19ALDH1A1KIF11 | |
| SCHEMBL2102354 | 0.73 | TSHR (0.48) | CYP1A2TSHRCYP2C19ALDH1A1KIF11 | |
| SCHEMBL8376477 | 0.72 | TSHR (0.42) | CYP1A2TSHRCYP2C19KIF11OPRM1 |
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 |