Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL9993619 | 0.88 | CYP1A2 (0.72) | CYP1A2MAPTGAAALDH1A1POLB | |
| SCHEMBL14935831 | 0.88 | CYP1A2 (0.72) | CYP1A2MAPTGAAALDH1A1POLB | |
| SCHEMBL31185994 | 0.86 | CYP1A2 (0.70) | CYP1A2MAPTGAAALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL31098480 | 0.86 | CYP1A2 (0.70) | CYP1A2MAPTGAAALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL29289732 | 0.86 | CYP1A2 (0.70) | CYP1A2MAPTGAAALDH1A1POLB | |
| SCHEMBL7336055 | 0.84 | CYP1A2 (0.77) | CYP1A2MAPTGAAALDH1A1POLB | |
| SCHEMBL31186195 | 0.84 | CYP1A2 (0.66) | CYP1A2MAPTGAAALDH1A1POLB | |
| SCHEMBL536661 | 0.83 | CYP1A2 (0.74) | CYP1A2MAPTGAAALDH1A1POLB | |
| SCHEMBL22335924 | 0.82 | CYP1A2 (0.64) | CYP1A2MAPTGAAALDH1A1POLB | |
| SCHEMBL31185882 | 0.82 | CYP1A2 (0.64) | CYP1A2MAPTGAAALDH1A1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105085429-B | Aromatic heterocyclic derivative and application thereof in medicines | 广东东阳光药业有限公司 | 2019-12-10 | — | — | CN | disclosed |
| CN-105085429-A | Heteroaromatic derivative and application thereof to medicament | GUANGDONG HEC PHARMACEUTICAL | 2015-11-25 | — | — | CN | disclosed |