Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 7/20 | 0.31 |
| ▸ | MAOA | P21397 | 4/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17870655 | 0.91 | OPRM1 (0.34) | HDAC1HDAC2OPRM1OPRK1OPRL1 | |
| SCHEMBL2310548 | 0.81 | CYP1A2 (0.36) | HDAC1HDAC2OPRM1OPRK1OPRL1 | |
| SCHEMBL29288289 | 0.73 | HDAC1 (0.32) | HDAC1HDAC2OPRM1OPRK1OPRL1 | |
| SCHEMBL8195263 | 0.68 | AKR1C1 (0.42) | HDAC1HDAC2OPRM1OPRL1 | |
| SCHEMBL8493053 | 0.66 | LTA4H (0.44) | MAOBMAOA | |
| SCHEMBL13745023 | 0.65 | OPRM1 (0.37) | HDAC1HDAC2OPRM1OPRK1OPRL1 | |
| SCHEMBL10643075 | 0.65 | CHRNB2 (0.39) | OPRM1OPRK1OPRL1CYP1A2 | |
| SCHEMBL8016354 | 0.65 | ALDH1A1 (0.36) | OPRM1OPRK1OPRL1MAOBMAOA | |
| SCHEMBL5272503 | 0.63 | HSD11B1 (0.38) | OPRM1OPRK1OPRL1CYP1A2 | |
| SCHEMBL14559518 | 0.62 | TSHR (0.37) | MAOBMAOATAAR1 |
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-109369670-A | A kind of synthetic method of three thiophene front three aldehyde compound of benzo | 青岛农业大学 | 2019-02-22 | — | — | CN | disclosed |