Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7579999 | 0.81 | GAA (0.45) | ALDH1A1MAPK1SMN1; SMN2HPGDFAAH | |
| SCHEMBL13627871 | 0.80 | ALDH1A1 (0.58) | ALDH1A1MAPK1SMN1; SMN2NPC1TP53 | |
| SCHEMBL226350 | 0.77 | — | — | |
| SCHEMBL13270863 | 0.77 | — | — | |
| SCHEMBL6626246 | 0.77 | ALDH1A1 (0.54) | ALDH1A1MAPK1SMN1; SMN2NPC1TP53 | |
| SCHEMBL6626208 | 0.75 | ALDH1A1 (0.52) | ALDH1A1MAPK1SMN1; SMN2NPC1TP53 | |
| SCHEMBL19351854 | 0.75 | EPHX1 (0.58) | ALDH1A1SMN1; SMN2HPGDNFKB1FAAH | |
| SCHEMBL10083913 | 0.75 | — | — | |
| SCHEMBL7963139 | 0.75 | — | — | |
| SCHEMBL10713623 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MAPK1SMN1; SMN2NPC1TP53 |
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-5001158-A | Nitrosoureas compounds preparation thereof and utilization thereof in anticancerous | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 1991-03-19 | — | — | US | disclosed |