Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 7/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | HTR3A | P46098 | 1/20 | 0.53 |
| ▸ | GHSR | Q92847 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.51 |
| ▸ | GABRP | O00591 | 2/20 | 0.50 |
| ▸ | GABRD | O14764 | 2/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL11805034 | 0.89 | TP53 (0.47) | TP53MAPTOPRK1KCNH2HTR1A | |
| SCHEMBL11806947 | 0.85 | MAPT (0.72) | TP53MAPTOPRK1KCNH2NPSR1 | |
| SCHEMBL11802020 | 0.84 | MAPT (0.65) | TP53MAPTOPRK1KCNH2HTR1A | |
| SCHEMBL11802793 | 0.80 | TP53 (0.46) | TP53MAPTOPRK1KCNH2HTR1A | |
| SCHEMBL11811476 | 0.80 | TP53 (0.55) | TP53MAPTOPRK1KCNH2HTR1A | |
| SCHEMBL11812864 | 0.78 | RAB9A (0.57) | TP53MAPTOPRK1KCNH2HTR1A | |
| SCHEMBL9727938 | 0.78 | CYP1A2 (0.70) | TP53MAPTOPRK1KCNH2HTR1A | |
| SCHEMBL11812609 | 0.77 | TP53 (0.52) | TP53MAPTOPRK1KCNH2HTR1A | |
| SCHEMBL5352101 | 0.75 | NPSR1 (0.69) | TP53MAPTOPRK1KCNH2NPSR1 | |
| SCHEMBL9038774 | 0.74 | NPSR1 (0.65) | TP53MAPTOPRK1KCNH2NPSR1 |
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-3933816-A | 3-(Substituted aminomethyl)-7-substituted-3,5-dihydro-as-triazino[4,3-a][1,5]benzodiazepines | THE UPJOHN COMPANY (US) | 1976-01-20 | — | — | US | disclosed |