Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 1/20 | 0.49 |
| ▸ | COMT | P21964 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 3/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL878485 | 0.89 | CA1 (0.61) | CYP1A2CA1CA2CA9HCRTR1 | |
| 1-Naphthol SCHEMBL28950266 | 0.82 | CYP1A2 (0.63) | CYP1A2CA1CA2CA9HCRTR1 | |
| 1-Naphthol SCHEMBL28476693 | 0.81 | CYP1A2 (0.74) | CYP1A2KDM4EGAAKMT2AALDH1A1 | |
| 1-Naphthol SCHEMBL29216682 | 0.80 | CYP1A2 (0.71) | CYP1A2CA1CA2CA9HCRTR1 | |
| 1-Naphthol SCHEMBL30669386 | 0.79 | CYP1A2 (0.77) | CYP1A2CA1CA2CA9HCRTR1 | |
| 1-Naphthol SCHEMBL7714764 | 0.79 | CYP1A2 (0.77) | CYP1A2CA1CA2CA9HCRTR1 | |
| 1-Naphthol SCHEMBL2481329 | 0.79 | CYP1A2 (0.77) | CYP1A2KDM4EGAAKMT2AALDH1A1 | |
| SCHEMBL672426 | 0.79 | PSIP1 (0.48) | CYP1A2CA1CA2CA9CDK2 | |
| SCHEMBL2703626 | 0.79 | CA1 (0.53) | CYP1A2CA1CA2CA9HCRTR1 | |
| SCHEMBL3324371 | 0.78 | CA1 (0.57) | CYP1A2CA1CA2CA9HCRTR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5463031-A | Printing, dyeing cellulose and organonitrogen compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1995-10-31 | — | — | US | disclosed |