Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10641415 | 0.81 | CYP1A2 (0.39) | CYP1A2MEN1NPC1RAB9AKMT2A | |
| SCHEMBL10641412 | 0.81 | CYP1A2 (0.39) | CYP1A2MEN1NPC1RAB9AKMT2A | |
| SCHEMBL10641405 | 0.81 | CYP1A2 (0.39) | CYP1A2MEN1NPC1RAB9AKMT2A | |
| SCHEMBL11432661 | 0.69 | ALDH1A1 (0.41) | CYP1A2CHRNB2SLC6A2CHRNB4CHRNA3 | |
| SCHEMBL4622011 | 0.67 | ALDH1A1 (0.39) | CYP1A2CHRNB2SLC6A2CHRNB4CHRNA3 | |
| SCHEMBL19809331 | 0.67 | ALDH1A1 (0.39) | CYP1A2CHRNB2SLC6A2CHRNB4CHRNA3 | |
| SCHEMBL8990373 | 0.67 | CHRNB2 (0.46) | CYP1A2CHRNB2SLC6A2CHRNB4CHRNA3 | |
| SCHEMBL5183115 | 0.66 | ALDH1A1 (0.44) | CYP1A2CHRNB2SLC6A2CHRNB4CHRNA3 | |
| SCHEMBL31538853 | 0.66 | CYP1A2 (0.35) | CYP1A2MEN1KMT2ACHRNB2SLC6A2 | |
| SCHEMBL12177734 | 0.66 | CYP1A2 (0.35) | CYP1A2MEN1KMT2ACHRNB2SLC6A2 |
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-6166260-A | Tandem reduction and host-guest complexation | ZEELAND CHEMICALS, INC. (US) | 2000-12-26 | — | — | US | disclosed |