Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 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 | 0.90 | OPRM1 (0.65) | OPRM1CYP3A4HSD17B10SIGMAR1OPRL1 | |
| SCHEMBL9542390 | 0.83 | OPRM1 (0.53) | OPRM1CYP3A4HSD17B10SIGMAR1OPRL1 | |
| SCHEMBL3893581 | 0.81 | OPRM1 (0.57) | OPRM1CYP3A4HSD17B10SIGMAR1OPRL1 | |
| SCHEMBL4726 | 0.81 | SIGMAR1 (0.68) | SIGMAR1MEN1KMT2APOLB | |
| Iodide SCHEMBL1697595 | 0.79 | SIGMAR1 (0.65) | SIGMAR1MEN1KMT2APOLB | |
| Hydrochloric Acid SCHEMBL5671727 | 0.79 | SIGMAR1 (0.65) | SIGMAR1MEN1KMT2APOLB | |
| Iodomethane SCHEMBL7490412 | 0.76 | SIGMAR1 (0.61) | SIGMAR1POLB | |
| SCHEMBL6355572 | 0.76 | ALDH1A1 (0.49) | OPRM1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL1586584 | 0.76 | SMN1; SMN2 (0.62) | OPRM1SIGMAR1DRD2HTR2AHTR2C | |
| SCHEMBL14027000 | 0.75 | ALDH1A1 (0.64) | CYP3A4HSD17B10SIGMAR1DRD2HTR2A |
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 |