Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6045730 | 0.84 | OPRL1 (0.41) | OPRL1SIGMAR1ALDH1A1CYP3A4TSHR | |
| SCHEMBL6045719 | 0.79 | KDM4E (0.39) | OPRL1SIGMAR1ALDH1A1CYP3A4TSHR | |
| SCHEMBL6045515 | 0.75 | NPFFR1 (0.46) | OPRL1SIGMAR1ALDH1A1CYP3A4TSHR | |
| SCHEMBL10916463 | 0.72 | OPRL1 (0.70) | OPRL1SIGMAR1ALDH1A1CYP3A4TSHR | |
| SCHEMBL6045686 | 0.72 | CYP3A4 (0.43) | OPRL1SIGMAR1ALDH1A1CYP3A4TSHR | |
| SCHEMBL14939327 | 0.71 | SIGMAR1 (0.45) | SIGMAR1ALDH1A1CYP3A4TSHRCYP2C19 | |
| SCHEMBL1056446 | 0.69 | OPRL1 (0.49) | OPRL1SIGMAR1ALDH1A1CYP3A4TSHR | |
| SCHEMBL14939341 | 0.69 | NPSR1 (0.65) | SIGMAR1ALDH1A1DRD2HTR2AHTR2C | |
| Oxalic Acid SCHEMBL6045620 | 0.68 | CYP2D6 (0.43) | SIGMAR1CYP3A4TSHRCYP2C19CYP2D6 | |
| SCHEMBL6045553 | 0.67 | OPRL1 (0.45) | OPRL1SIGMAR1ALDH1A1CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1559428-A1 | RECEPTOR REGULATOR | Takeda Pharmaceutical Company Limited (JP) | 2005-08-03 | — | — | EP | disclosed |