Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | TDO2 | P48775 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | CPN1 | P15169 | 1/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL16424114 | 0.85 | CYP3A4 (0.58) | ALDH1A1CYP19A1CYP3A4CASP1RECQL | |
| SCHEMBL8998973 | 0.83 | MAOA (0.50) | ALDH1A1CYP19A1CYP3A4CASP1RECQL | |
| SCHEMBL18623178 | 0.82 | CA1 (0.55) | ALDH1A1CYP3A4CASP1RECQLIDO1 | |
| SCHEMBL31409201 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP19A1 | |
| SCHEMBL28091155 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CASP1RECQLIDO1 | |
| SCHEMBL11779010 | 0.79 | IDO1 (0.50) | ALDH1A1CYP3A4CASP1RECQLIDO1 | |
| SCHEMBL5010075 | 0.78 | CYP19A1 (0.56) | ALDH1A1CYP19A1IDO1TDO2SLC6A4 | |
| SCHEMBL22050359 | 0.76 | MEN1 (0.40) | ALDH1A1CYP19A1CYP3A4CASP1RECQL | |
| SCHEMBL3695767 | 0.75 | CYP19A1 (0.59) | CYP19A1IDO1TDO2CYP2D6SLC6A2 | |
| SCHEMBL673181 | 0.75 | CYP19A1 (0.59) | CYP19A1IDO1TDO2CYP2D6SLC6A2 |
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-2001068740-A1 | CHARGE TRANSPORT MATERIALS | AVECIA LIMITED (GB) | 2001-09-20 | — | — | WO | claimed |