Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | MC4R | P32245 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL852613 | 1.00 | CYP2D6 (0.56) | CYP2D6MC4RTAAR1OPRM1OPRD1 | |
| SCHEMBL10035306 | 1.00 | CYP2D6 (0.56) | CYP2D6MC4RTAAR1OPRM1OPRD1 | |
| SCHEMBL12846188 | 1.00 | CYP2D6 (0.56) | CYP2D6MC4RTAAR1OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL8143809 | 0.98 | CYP2D6 (0.54) | CYP2D6MC4RTAAR1OPRM1OPRD1 | |
| SCHEMBL27839773 | 0.88 | CYP2D6 (0.48) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL15175904 | 0.82 | CYP2D6 (0.43) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL14675362 | 0.79 | CYP2D6 (0.48) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL5355369 | 0.76 | CYP2D6 (0.74) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| Hydrochloric Acid SCHEMBL6396631 | 0.73 | CYP2D6 (0.68) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL16306975 | 0.73 | CYP2D6 (0.83) | CYP2D6MC4ROPRM1OPRD1OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9938253-B2 | Catalysts for efficient Z-selective metathesis | TRUSTEES OF BOSTON COLLEGE (US) | 2018-04-10 | — | — | US | disclosed |