Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 5/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.71 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.71 |
| ▸ | HTR1A | P08908 | 3/20 | 0.71 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.71 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.71 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.71 |
| ▸ | DRD1 | P21728 | 3/20 | 0.71 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.71 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.71 |
| ▸ | DRD3 | P35462 | 3/20 | 0.71 |
| ▸ | THPO | P40225 | 3/20 | 0.71 |
| ▸ | MTOR | P42345 | 3/20 | 0.71 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.71 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.71 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.71 |
| ▸ | NPC1 | O15118 | 2/20 | 0.71 |
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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL7746717 | 0.95 | TP53 (0.68) | TP53MAPK1CYP1A2ABCB1HTR1A | |
| Dimethylamine SCHEMBL7750171 | 0.94 | TP53 (0.69) | TP53MAPK1CYP1A2ABCB1HTR1A | |
| SCHEMBL26003630 | 0.89 | TP53 (0.62) | TP53MAPK1CYP1A2ABCB1HTR1A | |
| SCHEMBL24224669 | 0.89 | TP53 (0.71) | TP53MAPK1CYP1A2ABCB1HTR1A | |
| SCHEMBL7746782 | 0.86 | FPR2 (0.69) | TP53MAPK1CYP1A2ABCB1HTR1A | |
| SCHEMBL7750160 | 0.86 | TP53 (0.91) | TP53MAPK1CYP1A2ABCB1HTR1A | |
| SCHEMBL561173 | 0.85 | LMNA (0.73) | TP53MAPK1CYP1A2ABCB1HTR1A | |
| SCHEMBL561399 | 0.84 | LMNA (0.75) | TP53MAPK1CYP1A2ABCB1HTR1A | |
| SCHEMBL14724203 | 0.84 | TP53 (0.72) | TP53MAPK1CYP1A2ABCB1HTR1A | |
| SCHEMBL14809956 | 0.84 | TP53 (0.72) | TP53MAPK1CYP1A2ABCB1HTR1A |
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-6762052-B1 | THE ENZYMES ARE USEFUL IN METABOLISM STUDIES, IN SCREENING OF COMPOUNDS FOR BIOLOGICAL OR PHARMACOLOGICAL ACTIVITY, AS WELL AS SERVING AS A BIO-INDICATOR OF DISEASE STATES OR SUSCEPTIBILITY TO DISEASE STATES | CASHMAN JOHN R | 2004-07-13 | — | — | US | disclosed |