Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.63 |
| ▸ | RAB9A | P51151 | 5/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | NAMPT | P43490 | 10/20 | 0.58 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.56 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.56 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.56 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL12555382 | 0.85 | MEN1 (0.72) | MEN1KMT2ARAB9AMAPTCYP1A2 | |
| SCHEMBL29496403 | 0.82 | ALDH1A1 (0.62) | RAB9AMAPTCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL22887482 | 0.82 | ALDH1A1 (0.62) | RAB9AMAPTCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL2679487 | 0.82 | NAMPT (0.52) | CYP1A2CYP3A4NAMPTCYP1A1CYP1B1 | |
| SCHEMBL10054865 | 0.82 | NAMPT (0.52) | CYP1A2CYP3A4NAMPTCYP1A1CYP1B1 | |
| SCHEMBL20353451 | 0.81 | CYP3A4 (0.55) | MEN1KMT2ARAB9AMAPTCYP1A2 | |
| SCHEMBL10160203 | 0.80 | HDAC3 (0.70) | MEN1KMT2ARAB9AMAPTCYP1A2 | |
| SCHEMBL21506059 | 0.80 | RAB9A (0.60) | MEN1KMT2ARAB9AMAPTNPC1 | |
| Methyl Benzoate SCHEMBL30968567 | 0.76 | ALDH1A1 (0.56) | KMT2ARAB9AMAPTCYP1A2CYP3A4 | |
| SCHEMBL19241247 | 0.75 | CCNC (0.54) | MEN1KMT2ARAB9AMAPTCYP1A2 |
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-102421754-A | Acrylamide derivative and use thereof in manufacture of medicament | BEIJING JIASHILIANBO PHARM SCI & TECH CO LTD | 2012-04-18 | — | — | CN | disclosed |