Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL1196464 | 0.79 | CYP19A1 (0.39) | KDM4EMAPK1ALDH1A1SMN1; SMN2CYP2A6 | |
| SCHEMBL4616384 | 0.72 | CYP1A2 (0.40) | KDM4EALDH1A1SMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL17007138 | 0.71 | MAPK1 (0.42) | KDM4EMAPK1ALDH1A1SMN1; SMN2CYP19A1 | |
| SCHEMBL586172 | 0.70 | CYP2A6 (0.42) | KDM4EALDH1A1SMN1; SMN2CYP2A6CYP2C9 | |
| SCHEMBL1485069 | 0.69 | CYP3A4 (0.56) | KDM4EMAPK1TSHRHSD17B10ALDH1A1 | |
| SCHEMBL3284640 | 0.68 | CYP3A4 (0.40) | MAPK1TSHRALDH1A1CYP2A6CYP2C9 | |
| SCHEMBL1507838 | 0.67 | CYP1A2 (0.40) | KDM4EMAPK1TSHRHSD17B10ALDH1A1 | |
| SCHEMBL14860915 | 0.67 | CYP1A2 (0.43) | KDM4EMAPK1TSHRHSD17B10ALDH1A1 | |
| SCHEMBL15225986 | 0.67 | ALDH1A1 (0.40) | KDM4ETSHRHSD17B10ALDH1A1SMN1; SMN2 | |
| SCHEMBL4939466 | 0.66 | POLB (0.57) | KDM4EMAPK1TSHRHSD17B10ALDH1A1 |
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 |