Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20556841 | 0.83 | ALDH1A1 (0.49) | ALDH1A1TSHRCYP2C19HIF1ACYP1A2 | |
| SCHEMBL27872022 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP2C19HIF1ACYP1A2 | |
| SCHEMBL11327202 | 0.83 | ALDH1A1 (0.49) | ALDH1A1TSHRCYP2C19HIF1ACYP1A2 | |
| SCHEMBL29216345 | 0.82 | ALDH1A1 (0.43) | ALDH1A1TSHRCYP2C19HIF1ACYP1A2 | |
| SCHEMBL9199514 | 0.82 | KCNN4 (0.53) | ALDH1A1KMT2AMEN1MAPTKCNN4 | |
| SCHEMBL7261292 | 0.82 | THRB (0.45) | ALDH1A1MAPTLMNAL3MBTL1 | |
| SCHEMBL1970368 | 0.81 | MAOB (0.47) | ALDH1A1KMT2AMAPTHTT | |
| SCHEMBL28302147 | 0.81 | KCNN4 (0.40) | TSHRCYP2C19HIF1ACYP1A2KMT2A | |
| SCHEMBL8052831 | 0.78 | KIF11 (0.40) | ALDH1A1TSHRCYP1A2CYP2D6KIF11 | |
| SCHEMBL6671068 | 0.75 | KMT2A (0.44) | ALDH1A1KMT2AMEN1MAPTLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106323969-A | Content determination method of ethyl formylphenylacetate | 江苏吉贝尔药业股份有限公司 | 2017-01-11 | — | — | CN | disclosed |
| US-6645983-B1 | Heterocyclic imines such as 3-(4-methoxyphenyl)-1,4-dihydro-4 -quinolinone, used as anticarcinogenic agents having cytolysis efficiency; side effect reduction | LABORATOIRE L. LAFON (FR) | 2003-11-11 | — | — | US | disclosed |
| US-4089858-A | Heterocyclic-amino-acrylic acid derivatives | CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) | 1978-05-16 | — | — | US | disclosed |