Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | P4HA1 | P13674 | 2/20 | 0.35 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.35 |
| ▸ | TPMT | P51580 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28531099 | 0.83 | HCAR2 (0.41) | HCAR2CYP2C9CYP2C19SLC22A12ALDH1A1 | |
| SCHEMBL1425213 | 0.77 | HCAR3 (0.42) | HCAR2CYP2C9CYP2C19SLC22A12ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1425568 | 0.75 | HCAR3 (0.41) | HCAR2CYP2C9CYP2C19SLC22A12ALDH1A1 | |
| SCHEMBL1105964 | 0.73 | HCAR2 (0.47) | HCAR2CYP2C9CYP2C19SLC22A12ALDH1A1 | |
| SCHEMBL27556188 | 0.72 | ALDH1A1 (0.39) | ALDH1A1MAPTMEN1KMT2ATDP1 | |
| SCHEMBL846024 | 0.72 | HCAR2 (0.50) | HCAR2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL9223231 | 0.72 | HCAR2 (0.40) | HCAR2CYP2C9CYP2C19ALDH1A1KDM4E | |
| SCHEMBL3343795 | 0.72 | KDM4E (0.36) | CYP2C9CYP2C19ALDH1A1KDM4EMEN1 | |
| SCHEMBL27567159 | 0.71 | TPMT (0.39) | ALDH1A1KDM4EHSD17B10TPMTMEN1 | |
| SCHEMBL4121189 | 0.71 | HCAR2 (0.48) | HCAR2CYP2C9CYP2C19ALDH1A1KDM4E |
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-106316931-A | 2-phenyl nicotinic acid derivative with insecticidal/acaricidal activity | 沈阳中化农药化工研发有限公司 | 2017-01-11 | — | — | CN | disclosed |