Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11806409 | 0.90 | TP53 (0.46) | TP53MAPTNPSR1NR1I2ADORA3 | |
| SCHEMBL5352101 | 0.85 | NPSR1 (0.69) | TP53MAPTNPSR1NR1I2ADORA3 | |
| SCHEMBL5360020 | 0.85 | SMN1; SMN2 (0.64) | TP53MAPTNPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11804829 | 0.82 | LMNA (0.63) | TP53MAPTNPSR1NR1I2ADORA3 | |
| SCHEMBL11576717 | 0.81 | NPSR1 (0.59) | TP53MAPTNPSR1NR1I2ADORA3 | |
| SCHEMBL11580050 | 0.81 | NPSR1 (0.58) | TP53MAPTNPSR1NR1I2ADORA3 | |
| SCHEMBL11812609 | 0.79 | TP53 (0.52) | TP53MAPTNPSR1NR1I2ADORA3 | |
| SCHEMBL11578265 | 0.79 | NPSR1 (0.56) | TP53MAPTNPSR1NR1I2ADORA3 | |
| SCHEMBL11578974 | 0.79 | NPSR1 (0.56) | TP53MAPTNPSR1NR1I2ADORA3 | |
| SCHEMBL11810202 | 0.79 | PTGDR2 (0.53) | TP53MAPTNPSR1NR1I2ADORA3 |
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 |