Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GRM6 | O15303 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CCR3 | P51677 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1587072 | 0.89 | OPRM1 (0.65) | OPRM1TSHRCYP2D6OPRL1ALDH1A1 | |
| SCHEMBL1975609 | 0.89 | CYP2D6 (0.57) | TSHRCYP2D6CHRM2CHRM3OPRL1 | |
| Hydrochloric Acid SCHEMBL10732688 | 0.87 | POLB (0.58) | TSHRCYP2D6CHRM2CHRM3OPRL1 | |
| Hydrochloric Acid SCHEMBL2088271 | 0.87 | POLB (0.58) | TSHRCYP2D6CHRM2CHRM3OPRL1 | |
| Sulfuric Acid SCHEMBL11839097 | 0.83 | MAPK1 (0.56) | TSHRCYP2D6CHRM2CHRM3OPRL1 | |
| SCHEMBL9542332 | 0.83 | OPRM1 (0.55) | OPRM1TSHRCYP2D6OPRL1ALDH1A1 | |
| SCHEMBL3893581 | 0.80 | OPRM1 (0.57) | OPRM1TSHRCYP2D6OPRL1ALDH1A1 | |
| SCHEMBL8576692 | 0.80 | CYP2D6 (0.55) | TSHRCYP2D6CHRM2CHRM3OPRL1 | |
| Bromide SCHEMBL8574506 | 0.79 | CYP2D6 (0.54) | TSHRCYP2D6CHRM2CHRM3OPRL1 | |
| SCHEMBL3955531 | 0.79 | TSHR (0.63) | TSHRCYP2D6CHRM2CHRM3OPRL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993000359-A1 | MODIFIED PEPTIDES TRANSPORTABLE INTO THE CENTRAL NERVOUS SYSTEM | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-01-07 | — | — | WO | disclosed |