Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.31 |
| ▸ | ABAT | P80404 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2783537 | 0.86 | ALDH1A1 (0.43) | ALDH1A1NOS3NOS1NOS2HPGD | |
| SCHEMBL1338840 | 0.77 | ALDH1A1 (0.47) | ALDH1A1NOS3NOS1NOS2HPGD | |
| SCHEMBL13934519 | 0.75 | MEN1 (0.45) | ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL4465857 | 0.74 | ALDH1A1 (0.40) | ALDH1A1NOS3NOS1NOS2ATM | |
| SCHEMBL10522808 | 0.73 | KCNH2 (0.38) | ALDH1A1NOS3NOS1NOS2HPGD | |
| SCHEMBL2782902 | 0.72 | ALDH1A1 (0.42) | ALDH1A1NOS3NOS1NOS2HPGD | |
| SCHEMBL31158574 | 0.71 | ALDH1A1 (0.41) | ALDH1A1NOS3NOS1NOS2ATM | |
| SCHEMBL34460862 | 0.71 | ALDH1A1 (0.41) | ALDH1A1NOS3NOS1NOS2ATM | |
| SCHEMBL6648616 | 0.69 | ALDH1A1 (0.39) | ALDH1A1KDM4EHPGDATM | |
| SCHEMBL10520143 | 0.68 | NPC1 (0.41) | ALDH1A1ATM |
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-2005099687-A2 | ANALOGS OF SALINOSPORAMIDE A | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2005-10-27 | — | — | WO | disclosed |