Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 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 | |
|---|---|---|---|---|
| SCHEMBL7947574 | 0.61 | ALDH1A1 (0.45) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL28018420 | 0.61 | CYP2C19 (0.42) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL5552881 | 0.59 | ALDH1A1 (0.48) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL28326671 | 0.59 | ALDH1A1 (0.57) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL5080714 | 0.59 | ALDH1A1 (0.57) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL6861337 | 0.57 | ALDH1A1 (0.60) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL29763177 | 0.57 | ALDH1A1 (0.48) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL2357462 | 0.57 | ALDH1A1 (0.48) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL30524348 | 0.57 | NPC1 (0.46) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL29465798 | 0.57 | MAOB (0.50) | NPC1ALDH1A1RAB9A |
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-20020052446-A1 | Composition based on monofluorometal complexes | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-02 | — | — | US | disclosed |