Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28544756 | 0.97 | CYP1A2 (0.42) | CYP1A2RECQLGAAHPGDCHRNB2 | |
| SCHEMBL15038208 | 0.97 | — | — | |
| SCHEMBL8242234 | 0.97 | CYP1A2 (0.45) | CYP1A2RECQLGAAHPGDCHRNB2 | |
| SCHEMBL18116853 | 0.97 | CYP1A2 (0.45) | CYP1A2RECQLGAAHPGDCHRNB2 | |
| SCHEMBL17297103 | 0.97 | — | — | |
| SCHEMBL18116437 | 0.97 | CYP1A2 (0.45) | CYP1A2RECQLGAAHPGDCHRNB2 | |
| SCHEMBL13078692 | 0.97 | CYP1A2 (0.45) | CYP1A2RECQLGAAHPGDCHRNB2 | |
| Ammonia Solution, Strong SCHEMBL3635864 | 0.97 | — | — | |
| SCHEMBL21960718 | 0.97 | CYP1A2 (0.45) | CYP1A2RECQLGAAHPGDCHRNB2 | |
| SCHEMBL15474113 | 0.97 | CYP1A2 (0.45) | CYP1A2RECQLGAAHPGDCHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112533913-A | Novel compounds | 英夫拉索姆有限公司 | 2021-03-19 | — | — | CN | disclosed |