Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | AGXT | P21549 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | FLT3 | P36888 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CASP3 | P42574 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28518665 | 0.82 | CYP2A6 (0.44) | CYP2A6MAOBMAOARAB9ANPC1 | |
| Ethoxycarbonyl Group SCHEMBL28526058 | 0.82 | CYP2A6 (0.44) | CYP2A6MAOBMAOARAB9ANPC1 | |
| SCHEMBL3452249 | 0.78 | KDM4E (0.48) | CYP2A6MAOBMAOARAB9ANPC1 | |
| Anthracene SCHEMBL27554619 | 0.76 | GAA (0.41) | CYP2A6RAB9ANPC1POLBALDH1A1 | |
| Naphthalene SCHEMBL27488215 | 0.76 | ALDH1A1 (0.40) | CYP2A6RAB9AALDH1A1KDM4ELMNA | |
| Naphthalene SCHEMBL27634543 | 0.74 | ALDH1A1 (0.39) | CYP2A6ALDH1A1KDM4ELMNAMAPK1 | |
| Benzofuran SCHEMBL28100443 | 0.73 | CYP2A6 (0.39) | CYP2A6MAOBMAOAALDH1A1LMNA | |
| SCHEMBL5541861 | 0.71 | AGXT (0.62) | CYP2A6RAB9APOLBAGXTKMT2A | |
| Iodobenzene SCHEMBL28243369 | 0.71 | MEN1 (0.35) | CYP2A6ALDH1A1KDM4ELMNAKMT2A | |
| Phenanthrene SCHEMBL28669665 | 0.70 | ALDH1A1 (0.48) | CYP2A6RAB9ANPC1ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-110092778-B | Method for preparing vilazodone intermediate and vilazodone medicine by using cheap metal copper | 浙江工业大学 | 2021-02-09 | — | — | CN | disclosed |