Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CTSC | P53634 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11565761 | 0.79 | TRPA1 (0.41) | CYP1A2ESR1ESR2CYP3A4MEN1 | |
| SCHEMBL11133642 | 0.79 | ALDH1A1 (0.41) | CYP1A2ESR1ESR2CYP3A4MEN1 | |
| SCHEMBL11566830 | 0.79 | CYP19A1 (0.48) | ALDH1A1IDO1 | |
| SCHEMBL14135728 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP2D6APEX1PMP22ESR1 | |
| SCHEMBL9404074 | 0.78 | CYP1A2 (0.45) | CYP1A2CYP2D6ALDH1A1CTSCSIGMAR1 | |
| SCHEMBL2075236 | 0.75 | CYP1A2 (0.41) | CYP1A2CYP2D6APEX1PMP22ESR1 | |
| SCHEMBL2075238 | 0.75 | CYP1A2 (0.41) | CYP1A2CYP2D6APEX1PMP22ESR1 | |
| SCHEMBL11766521 | 0.75 | TAAR1 (0.41) | ALDH1A1DPP4IDO1 | |
| SCHEMBL11567382 | 0.75 | ALDH1A1 (0.47) | CYP1A2CYP3A4MEN1ALDH1A1KMT2A | |
| SCHEMBL11562526 | 0.75 | SLC6A4 (0.53) | — |
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-4145362-A | DIAZOTIZATION OF ARYLAMINE IN PRESENCE OF ALKANOIC ACID, COPPER HALIDE CATALYST | S.A. P R B EN NEERLANDAIS PRB N.V. (BE) | 1979-03-20 | — | — | US | disclosed |