Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.49 |
| ▸ | MC4R | P32245 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2337932 | 0.79 | CYP2D6 (0.65) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL10643475 | 0.79 | ALDH1A1 (0.38) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| Hydrochloric Acid SCHEMBL2330314 | 0.77 | CYP2D6 (0.63) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL31741173 | 0.76 | CYP2D6 (0.44) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL10565433 | 0.75 | CYP2D6 (0.55) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL4726066 | 0.72 | CYP2D6 (0.43) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL16226061 | 0.72 | CYP2D6 (1.00) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL5355369 | 0.72 | CYP2D6 (0.74) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL6706135 | 0.72 | CYP2D6 (1.00) | CYP2D6OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL7264542 | 0.72 | CYP2D6 (1.00) | CYP2D6OPRM1OPRD1OPRK1OPRL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4855452-A | N-substituted azetidine carboxylate derivatives | SHELL OIL COMPANY (US) | 1989-08-08 | — | — | US | disclosed |
| US-4778577-A | OXIDATION OF ALCOHOL TO ACID WITH NICKEL/III/COMPOUND | SHELL OIL COMPANY (US) | 1988-10-18 | — | — | US | disclosed |
| EP-0199413-A2 | Process for preparing azetidine derivatives and novel intermediates therein | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-10-29 | — | — | EP | disclosed |