Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | HTR1A | P08908 | 1/20 | 0.60 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.60 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | SCN1A | P35498 | 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 | |
|---|---|---|---|---|
| Oxeladin SCHEMBL405413 | 0.83 | CHRM2 (0.64) | CYP1A2CYP2D6HIF1ACHRM2CHRM1 | |
| Oxolamine SCHEMBL4414451 | 0.80 | CYP1A2 (0.78) | CYP1A2CYP2D6HIF1AHTR1AHRH3 | |
| SCHEMBL3366202 | 0.80 | CHRM2 (0.56) | CYP1A2CYP2D6CHRM2CHRM1CHRM3 | |
| Carbetapentane SCHEMBL13724360 | 0.78 | CHRM2 (0.71) | CYP1A2CYP2D6HIF1AHTR1AHRH3 | |
| Oxolamine SCHEMBL893333 | 0.78 | HTR1A (1.00) | CYP1A2CYP2D6HIF1AHTR1AHRH3 | |
| Oxolamine SCHEMBL1652318 | 0.76 | HTR1A (0.97) | CYP1A2CYP2D6HIF1AHTR1AHRH3 | |
| Oxolamine SCHEMBL3498928 | 0.76 | CYP1A2 (1.00) | CYP1A2CYP2D6HIF1AHTR1AHRH3 | |
| Oxeladin SCHEMBL405412 | 0.76 | CYP2D6 (0.62) | CYP1A2CYP2D6HIF1ACHRM2CHRM1 | |
| SCHEMBL3362813 | 0.75 | CHRM2 (0.51) | CYP1A2CYP2D6CHRM2CHRM1CHRM3 | |
| SCHEMBL3364929 | 0.73 | CHRM2 (0.49) | CYP1A2CYP2D6CHRM2CHRM1CHRM3 |
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-103717597-B | Heterocyclic compounds as kinase inhibitors | 原真股份有限公司 | 2017-07-04 | — | — | CN | disclosed |
| CN-103492389-B | Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases | 原真股份有限公司 | 2016-09-14 | — | — | CN | disclosed |