Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CCND3 | P30281 | 1/20 | 0.33 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11317963 | 0.78 | NPC1 (0.36) | MAOBMAOACYP2D6CYP1A2NPC1 | |
| SCHEMBL13656517 | 0.72 | TSHR (0.41) | MAOBCYP2D6HSD17B10CYP1A2NPC1 | |
| SCHEMBL3056869 | 0.72 | TSHR (0.41) | CYP2D6HSD17B10CYP1A2NPC1RAB9A | |
| SCHEMBL1656536 | 0.71 | MAOB (0.46) | MAOBMAOACYP2D6HSD17B10CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL3642493 | 0.69 | TSHR (0.44) | MAOBMAOACYP2D6GAACYP1A2 | |
| SCHEMBL3464105 | 0.68 | — | — | |
| SCHEMBL2491802 | 0.68 | — | — | |
| SCHEMBL1972667 | 0.68 | — | — | |
| Trifluoroacetic Acid SCHEMBL12495925 | 0.68 | TSHR (0.47) | MAOBMAOACYP2D6GAACYP1A2 | |
| SCHEMBL5642969 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4315019-A | Novel aryltrifluoroethylamines and processes for producing the same | SCIENCE UNION ET CIE (FR) | 1982-02-09 | — | — | US | disclosed |
| US-4315020-A | Oxazoline (trifluoroethyl) amine | SCIENCE UNION ET CIE (FR) | 1982-02-09 | — | — | US | disclosed |