Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.64 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.59 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.56 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11459812 | 0.87 | ALDH1A1 (0.67) | ALDH1A1MAPK1SRD5A2PTGER4PTGER2 | |
| SCHEMBL11432927 | 0.84 | ALDH1A1 (0.55) | ALDH1A1MAPK1SRD5A2HDAC1NPC1 | |
| SCHEMBL108087 | 0.82 | TAAR1 (0.77) | ALDH1A1CYP3A4CYP1A2CYP2C19CALM1 | |
| Piperonylic Acid SCHEMBL3936749 | 0.81 | ALDH1A1 (0.73) | ALDH1A1MAPK1SRD5A2CYP3A4CYP1A2 | |
| SCHEMBL8604814 | 0.81 | CALM1 (0.70) | ALDH1A1HPGDCALM1TAAR1NPC1 | |
| SCHEMBL11230733 | 0.81 | ALDH1A1 (0.70) | ALDH1A1MAPK1SRD5A2HPGDHDAC1 | |
| Piperonylic Acid SCHEMBL142318 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MAPK1SRD5A2CYP3A4CYP1A2 | |
| Piperonylic Acid SCHEMBL3946119 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MAPK1SRD5A2CYP3A4CYP1A2 | |
| Piperonylic Acid SCHEMBL31119409 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MAPK1SRD5A2CYP3A4CYP1A2 | |
| SCHEMBL1430901 | 0.80 | TRPM8 (0.65) | ALDH1A1CYP3A4CYP1A2CYP2C19CALM1 |
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-101300209-A | Nickel-or iron-catalyzed carbon-carbon coupling of arylenes, alkenes and alkynes | SALTIGO GMBH (DE) | 2008-11-05 | — | — | CN | disclosed |