Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6582087 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP3A4SRD5A1SRD5A2MAPT | |
| SCHEMBL6577989 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP3A4SRD5A1SRD5A2MAPT | |
| SCHEMBL20478854 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4SRD5A1SRD5A2MAPT | |
| SCHEMBL7968392 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP3A4SRD5A1SRD5A2MAPT | |
| SCHEMBL13167579 | 0.77 | ALDH1A1 (0.49) | ALDH1A1CYP3A4SRD5A1SRD5A2MAPT | |
| SCHEMBL12260114 | 0.76 | ALDH1A1 (0.51) | ALDH1A1CYP3A4SRD5A1SRD5A2MAPT | |
| SCHEMBL17014495 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CYP3A4SRD5A1SRD5A2MAPT | |
| SCHEMBL8139004 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP3A4SRD5A1SRD5A2MAPT | |
| SCHEMBL10609283 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP3A4SRD5A1SRD5A2MAPT | |
| SCHEMBL13185549 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CYP3A4SRD5A1SRD5A2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996022992-A1 | TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS | ABBOTT LABORATORIES (US) | 1996-08-01 | — | — | WO | disclosed |