Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KDM6B | O15054 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | LATS1 | O95835 | 1/20 | 0.31 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28168695 | 0.87 | TLR8 (0.40) | HCAR3ALDH1A1SMN1; SMN2KDM6BKDM4C | |
| SCHEMBL28761482 | 0.85 | ABL1 (0.40) | HCAR3ALDH1A1 | |
| SCHEMBL18205884 | 0.84 | CISD1 (0.40) | IDO1SMN1; SMN2CISD1CNR2MEN1 | |
| SCHEMBL21318229 | 0.83 | AR (0.43) | IDO1TRPA1ARHCAR3ALDH1A1 | |
| SCHEMBL12473140 | 0.81 | CYP3A4 (0.38) | IDO1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL30657518 | 0.81 | MAPT (0.34) | IDO1TRPA1ALDH1A1CISD1MAPT | |
| SCHEMBL3633700 | 0.81 | MAPT (0.34) | IDO1TRPA1ALDH1A1CISD1MAPT | |
| SCHEMBL6970183 | 0.77 | SMN1; SMN2 (0.44) | IDO1TRPA1ALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL1521870 | 0.77 | PKM (0.45) | IDO1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL20207677 | 0.75 | SMN1; SMN2 (0.42) | TRPA1ALDH1A1SMN1; SMN2CYP1A2CNR2 |
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-9656956-B2 | Benzene, pyridine, and pyridazine derivatives | ESANEX, INC. (US) | 2017-05-23 | — | — | US | disclosed |