Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | FBP1 | P09467 | 1/20 | 0.30 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.30 |
| ▸ | KCNJ3 | P48549 | 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 | |
|---|---|---|---|---|
| SCHEMBL28596244 | 0.80 | KDM4E (0.38) | SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL1196464 | 0.80 | CYP19A1 (0.39) | SMN1; SMN2KDM4EALDH1A1CYP2A6POLB | |
| SCHEMBL28589922 | 0.80 | MAOB (0.42) | SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL28609555 | 0.76 | ALDH1A1 (0.38) | SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL10515945 | 0.75 | CYP2A6 (0.39) | SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL4616384 | 0.74 | CYP1A2 (0.40) | SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL28597901 | 0.73 | SMN1; SMN2 (0.36) | SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL82347 | 0.72 | SMN1; SMN2 (0.60) | SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL586172 | 0.72 | CYP2A6 (0.42) | SMN1; SMN2KDM4EALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL17007372 | 0.70 | NOTUM (0.39) | KDM4EALDH1A1MAPTKMT2A |
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-113164458-A | Monoacylglycerol lipase modulators | 詹森药业有限公司 | 2021-07-23 | — | — | CN | claimed |
| CN-113164458-A | Monoacylglycerol lipase modulators | 詹森药业有限公司 | 2021-07-23 | — | — | CN | disclosed |