Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 15/20 | 0.69 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | CCR5 | P51681 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11533330 | 1.00 | SIGMAR1 (0.69) | SIGMAR1MEN1KMT2ACCR5OPRK1 | |
| SCHEMBL9699975 | 0.99 | SIGMAR1 (0.70) | SIGMAR1MEN1KMT2ACCR5OPRK1 | |
| Hydrochloric Acid SCHEMBL11529411 | 0.97 | SIGMAR1 (0.69) | SIGMAR1MEN1KMT2ACCR5OPRK1 | |
| Fumaric Acid SCHEMBL11532376 | 0.93 | SIGMAR1 (0.61) | SIGMAR1MEN1KMT2ACCR5OPRK1 | |
| Maleic Acid SCHEMBL11532370 | 0.93 | SIGMAR1 (0.61) | SIGMAR1MEN1KMT2ACCR5OPRK1 | |
| Hydrochloric Acid SCHEMBL11530039 | 0.84 | SIGMAR1 (0.56) | SIGMAR1MEN1KMT2AOPRK1OPRM1 | |
| SCHEMBL3528763 | 0.82 | SIGMAR1 (0.72) | SIGMAR1MEN1KMT2ACCR5OPRK1 | |
| SCHEMBL6948431 | 0.82 | SIGMAR1 (0.54) | SIGMAR1MEN1KMT2ACCR5OPRK1 | |
| SCHEMBL11530369 | 0.82 | SIGMAR1 (1.00) | SIGMAR1MEN1KMT2AOPRK1OPRM1 | |
| SCHEMBL3527812 | 0.81 | KCNH2 (0.55) | SIGMAR1CCR5OPRK1OPRM1 |
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-4145435-A | 2-AMINOCYCLOALIPHATIC AMIDE COMPOUNDS | THE UPJOHN COMPANY (US) | 1979-03-20 | — | — | US | disclosed |