Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 3/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2474526 | 0.78 | CYP1A2 (0.41) | MAOAMAOBCYP2A6CES1BCHE | |
| SCHEMBL1538761 | 0.71 | MAOA (0.43) | MAOAMAOBCYP2A6CES1BCHE | |
| SCHEMBL31070117 | 0.69 | — | — | |
| SCHEMBL8035811 | 0.69 | CES1 (0.73) | MAOAMAOBCYP2A6CES1BCHE | |
| SCHEMBL569873 | 0.69 | — | — | |
| SCHEMBL1553785 | 0.68 | MAOB (0.42) | MAOAMAOBCYP2A6CES1BCHE | |
| SCHEMBL24746 | 0.67 | MAOA (0.74) | MAOAMAOBCYP2A6CES1BCHE | |
| SCHEMBL1268680 | 0.67 | MAOA (0.74) | MAOAMAOBCYP2A6CES1BCHE | |
| SCHEMBL29353311 | 0.67 | MAOA (0.74) | MAOAMAOBCYP2A6CES1BCHE | |
| SCHEMBL7731659 | 0.67 | CA12 (0.48) | MAOAMAOBCYP2A6CES1BCHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2619203-A1 | TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES | Glaxo Group Limited (GB) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012037782-A1 | TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES | GLAXO GROUP LIMITED (GB) | 2012-03-29 | — | — | WO | disclosed |
| EP-1417196-A1 | DNA-PK INHIBITORS | Cancer Research Technology Limited (GB) | 2004-05-12 | — | — | EP | disclosed |
| WO-2003024949-A1 | DNA-PK INHIBITORS | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2003-03-27 | — | — | WO | disclosed |