Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MLYCD | O95822 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23854640 | 0.84 | CYP1A2 (0.67) | ALDH1A1CYP1A2CYP3A4GAACYP2D6 | |
| SCHEMBL4351971 | 0.83 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP3A4GAACYP2D6 | |
| SCHEMBL2901805 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP3A4GAACYP2D6 | |
| SCHEMBL22858927 | 0.81 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP3A4GAACYP2D6 | |
| SCHEMBL25975198 | 0.81 | HDAC4 (0.49) | MLYCDDRD2HDAC4 | |
| SCHEMBL27369238 | 0.80 | HDAC4 (0.48) | MLYCDDRD2HDAC4 | |
| SCHEMBL12218589 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP3A4GAACYP2D6 | |
| SCHEMBL12844312 | 0.74 | ALDH1A1 (0.44) | ALDH1A1CYP1A2CYP3A4GAACYP2D6 | |
| SCHEMBL14817910 | 0.73 | PYCR1 (0.49) | DRD2NSD2 | |
| SCHEMBL12776452 | 0.73 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP3A4GAACYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2186516-B1 | Novel benzazepine derivative | GLAXO GROUP LTD (GB) | 2013-01-16 | — | — | EP | disclosed |
| EP-2133340-B1 | Novel benzazepine derivatives | GLAXO GROUP LTD (GB) | 2013-01-16 | — | — | EP | disclosed |
| EP-2186516-A1 | Novel benzazepine derivative | Glaxo Group Limited (GB) | 2010-05-19 | — | — | EP | disclosed |
| EP-2133340-A1 | Novel benzazepine derivatives | Glaxo Group Limited (GB) | 2009-12-16 | — | — | EP | disclosed |
| EP-1572215-B1 | BENZO[D]AZEPINE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | GLAXO GROUP LTD (GB) | 2009-09-02 | — | — | EP | disclosed |