Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL1294840 | 0.88 | ALDH1A1 (0.42) | ALDH1A1GAACYP4F2CYP4A11HPGD | |
| SCHEMBL18648565 | 0.84 | NPSR1 (0.56) | BRD4CRBNNPSR1MAOAMAOB | |
| SCHEMBL11770569 | 0.77 | MAOA (0.47) | ALDH1A1MAPK1DRD2MAPTBRD4 | |
| SCHEMBL10646898 | 0.76 | ALDH1A1 (0.54) | ALDH1A1GAACYP4F2CYP4A11HSD17B10 | |
| SCHEMBL12110181 | 0.76 | ALDH1A1 (0.35) | ALDH1A1GAACYP4F2CYP4A11HPGD | |
| SCHEMBL1026153 | 0.75 | CRBN (0.45) | ALDH1A1GAAHPGDMAPK1HSD17B10 | |
| SCHEMBL11289516 | 0.74 | PDE3B (0.59) | DRD2BRD4PDE3BPDE3AMAOA | |
| SCHEMBL11603017 | 0.73 | PDE3B (0.63) | DRD2BRD4PDE3BPDE3AMAOA | |
| SCHEMBL12559768 | 0.72 | PKM (0.44) | ALDH1A1BRD4MAOAMAOB | |
| SCHEMBL12105471 | 0.72 | ALDH1A1 (0.36) | ALDH1A1GAACYP4F2CYP4A11HPGD |
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-9598434-B2 | Benzazepine compound | ASTELLAS PHARMA INC. (JP) | 2017-03-21 | — | — | US | disclosed |