Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6982086 | 0.85 | TUBB4A (0.41) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL6994425 | 0.80 | NPC1 (0.38) | ALDH1A1MAPTCYP3A4CYP2D6SLC6A2 | |
| SCHEMBL6989802 | 0.77 | AKR1C3 (0.44) | ALDH1A1MAPTCYP3A4LMNACYP2D6 | |
| SCHEMBL6987021 | 0.76 | TUBB4A (0.41) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL790141 | 0.72 | ALDH1A1 (0.55) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL12436736 | 0.69 | ALDH1A1 (0.54) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL3103536 | 0.69 | LMNA (0.59) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL4442208 | 0.69 | AKR1C3 (0.41) | ALDH1A1MAPTCYP3A4LMNACYP2D6 | |
| SCHEMBL3982384 | 0.68 | TUBB4A (0.56) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL3914603 | 0.68 | ALDH1A1 (0.54) | ALDH1A1MAPTCYP3A4KDM4EALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1347967-A1 | NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS | Actelion Pharmaceuticals Ltd. (CH) | 2003-10-01 | — | — | EP | disclosed |
| WO-2002051838-A1 | NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD. (CH) | 2002-07-04 | — | — | WO | disclosed |