Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | PRCP | P42785 | 3/20 | 0.40 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | LIPE | Q05469 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25163043 | 0.83 | PRCP (0.47) | PRCPDRD1AKR1C3TRPM8CHRNA7 | |
| SCHEMBL2600445 | 0.83 | PRCP (0.47) | PRCPDRD1AKR1C3TRPM8CHRNA7 | |
| SCHEMBL28451699 | 0.76 | ESR1 (0.43) | ESR1ESR2OPRM1OPRK1 | |
| SCHEMBL23112103 | 0.74 | AKR1C3 (0.39) | ALDH1A1PRCPDRD1AKR1C3TRPM8 | |
| SCHEMBL8572844 | 0.73 | SPR (0.41) | MAPTDRD1AKR1C3ESR1ESR2 | |
| SCHEMBL28163874 | 0.72 | DRD1 (0.54) | PRCPDRD1AKR1C3TRPM8CHRNA7 | |
| SCHEMBL28953756 | 0.72 | DRD1 (0.54) | PRCPDRD1AKR1C3TRPM8CHRNA7 | |
| Hydrochloric Acid SCHEMBL8805271 | 0.72 | PRCP (0.40) | PRCPDRD1AKR1C3TRPM8CHRNA7 | |
| SCHEMBL28164368 | 0.72 | DRD1 (0.54) | PRCPDRD1AKR1C3TRPM8CHRNA7 | |
| SCHEMBL8572367 | 0.72 | DRD1 (0.40) | PRCPDRD1AKR1C3LIPE |
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-107001278-A | Tetrahydro isoquinoline derivative | UCB生物制药私人有限公司 | 2017-08-01 | — | — | CN | disclosed |