Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL646103 | 0.82 | ABL1 (0.47) | TAAR1DRD2DRD4DRD3SMN1; SMN2 | |
| SCHEMBL9095590 | 0.81 | MC4R (0.55) | TAAR1NPC1RAB9ALMNA | |
| Hydrochloric Acid SCHEMBL8088250 | 0.80 | MC4R (0.54) | HTT | |
| SCHEMBL6740216 | 0.78 | TAAR1 (0.71) | TAAR1PNMTIDO1LMNASLC6A2 | |
| SCHEMBL2030841 | 0.78 | TAAR1 (0.71) | TAAR1SMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL6226973 | 0.77 | TAAR1 (0.53) | TAAR1SMN1; SMN2NPC1RAB9APTGS1 | |
| SCHEMBL28816510 | 0.77 | TAAR1 (0.48) | TAAR1SMN1; SMN2NPC1RAB9ASLC6A3 | |
| SCHEMBL11639244 | 0.77 | CYP3A4 (0.59) | SMN1; SMN2ALDH1A1RAB9ALMNAHPGD | |
| Hydrochloric Acid SCHEMBL31498982 | 0.73 | TAAR1 (0.53) | TAAR1SMN1; SMN2ALDH1A1HPGDHTT | |
| SCHEMBL29021977 | 0.72 | FOLH1 (0.54) | TAAR1SMN1; SMN2ALDH1A1NPC1RAB9A |
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-2020012403-A1 | AN IMPROVED PROCESS FOR DIASTER-EOSELECTIVE SYNTHESIS OF VICINAL DIAMINES | Piramal Enterprises Limited (IN) | 2020-01-16 | — | — | WO | disclosed |