Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 2/20 | 0.37 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL461005 | 0.90 | CYP1A2 (0.44) | CYP1A2CYP2C19CYP2C9F10ALDH1A1 | |
| SCHEMBL13884056 | 0.84 | CYP1A2 (0.66) | CYP1A2CYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL10629740 | 0.81 | ALDH1A1 (0.48) | CYP1A2CYP2C19CYP2C9F10ALDH1A1 | |
| SCHEMBL27952237 | 0.80 | KDM4E (0.59) | CYP1A2CYP2C19CYP2C9ALDH1A1TP53 | |
| SCHEMBL249321 | 0.79 | CYP1A2 (0.65) | CYP1A2CYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL11261747 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2C9ALDH1A1TP53 | |
| SCHEMBL30967549 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP2C19CYP2C9ALDH1A1TP53 | |
| SCHEMBL6245901 | 0.78 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL19991729 | 0.78 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL16742378 | 0.78 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2C9ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1392673-B1 | 1,3-DIHYDROXYBENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS | WELLA AG (DE) | 2005-06-08 | — | — | EP | claimed |