Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ACP3 | P15309 | 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 | |
|---|---|---|---|---|
| SCHEMBL96213 | 0.78 | CYP1A2 (0.43) | ALDH1A1CYP1A2PNMTLMNAMEN1 | |
| SCHEMBL16797148 | 0.72 | CYP1A2 (0.42) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL535572 | 0.72 | TAAR1 (0.41) | ALDH1A1CYP1A2LMNAMEN1KMT2A | |
| SCHEMBL16952901 | 0.72 | PNMT (0.56) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL9338852 | 0.71 | TSHR (0.47) | ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1 | |
| SCHEMBL102469 | 0.70 | CYP1A2 (0.36) | ALDH1A1CYP1A2LMNAMEN1KMT2A | |
| SCHEMBL910129 | 0.68 | CYP1A2 (0.35) | ALDH1A1CYP1A2LMNAMEN1KMT2A | |
| SCHEMBL910072 | 0.68 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4LMNAMEN1 | |
| SCHEMBL20237221 | 0.68 | C1R (0.35) | ALDH1A1CYP1A2LMNAMEN1KMT2A | |
| SCHEMBL6149211 | 0.68 | TSHR (0.48) | ALDH1A1CYP1A2CYP3A4PNMTLMNA |
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-2015052675-A1 | SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2015-04-16 | — | — | WO | disclosed |