Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | HASPIN | Q8TF76 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 3/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | CDK9 | P50750 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13686750 | 0.80 | MAOA (0.51) | MAOACYP3A4TRPA1CYP17A1CYP11B1 | |
| SCHEMBL1705716 | 0.80 | MAOA (0.51) | MAOACYP3A4TRPA1CYP17A1CYP11B1 | |
| SCHEMBL1271246 | 0.77 | MAOA (0.59) | MAOACYP3A4MAPTPDE10A | |
| Hydrochloric Acid SCHEMBL9623496 | 0.76 | MAOA (0.61) | MAOACYP3A4PDE10A | |
| SCHEMBL7804786 | 0.76 | MAOA (0.48) | NQO1MAOACYP3A4TRPA1CYP17A1 | |
| SCHEMBL8795800 | 0.76 | KMT2A (0.41) | CYP3A4MAPTCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27054946 | 0.72 | CYP11B1 (0.45) | MAOACYP3A4NPC1MAPTPDE10A | |
| SCHEMBL24165355 | 0.71 | MAOA (0.53) | MAOACYP3A4PDE10ACYP11B1CYP11B2 | |
| SCHEMBL3894423 | 0.71 | MAOA (0.53) | MAOACYP3A4PDE10ACYP11B1CYP11B2 | |
| SCHEMBL31509687 | 0.71 | CLK1 (0.46) | HASPINPIM1CCNT1CDK9MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0662076-B1 | 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY | UNIV VERMONT (US) | 2001-04-11 | — | — | EP | disclosed |