Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | PPARG | P37231 | 1/20 | 0.55 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.51 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.51 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.51 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.51 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.51 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL503646 | 0.83 | ALOX5 (0.68) | ALDH1A1ALOX5CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28557973 | 0.80 | KMT2A (0.55) | ALDH1A1NR1H3ALOX5CYP1A2CYP3A4 | |
| SCHEMBL1171967 | 0.79 | LTB4R (0.67) | ALOX5FFAR1FFAR4 | |
| SCHEMBL9663959 | 0.77 | LTB4R (0.69) | ALOX5FFAR1FFAR4 | |
| SCHEMBL8001859 | 0.77 | LTB4R (0.69) | ALOX5FFAR1FFAR4 | |
| SCHEMBL709381 | 0.77 | LTB4R (0.69) | ALOX5FFAR1FFAR4 | |
| SCHEMBL9484086 | 0.77 | LTB4R (0.69) | ALOX5FFAR1FFAR4 | |
| P-Anisic Acid SCHEMBL28548631 | 0.76 | CA1 (0.62) | CYP1A2CYP3A4CYP2C9CYP2C19KMT2A | |
| Valeric Acid SCHEMBL27568555 | 0.76 | CA12 (0.47) | ALDH1A1PPARGCYP3A4CYP2D6FFAR1 | |
| Anisole SCHEMBL31387002 | 0.76 | FFAR1 (0.74) | PLAAT3PLAAT5PLAAT2PLAAT4FFAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112746289-B | Synthesis method of alkyl borate compound | 合肥工业大学 | 2021-11-09 | — | — | CN | disclosed |
| CN-112746289-A | Synthesis method of alkyl borate compound | 合肥工业大学 | 2021-05-04 | — | — | CN | disclosed |