Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.48 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10819628 | 0.88 | CES2 (0.65) | CES2NPSR1ACHESRD5A2ALDH1A1 | |
| SCHEMBL311233 | 0.86 | CES2 (0.62) | CES2NPSR1ACHESRD5A2ALDH1A1 | |
| SCHEMBL27243759 | 0.86 | CES2 (0.71) | CES2NPSR1ACHESRD5A2ALDH1A1 | |
| SCHEMBL786699 | 0.85 | CES2 (0.61) | CES2NPSR1ACHESRD5A2ALDH1A1 | |
| SCHEMBL19865862 | 0.85 | CES2 (0.61) | CES2NPSR1ACHESRD5A2ALDH1A1 | |
| SCHEMBL16160046 | 0.81 | CES2 (0.56) | CES2NPSR1ACHESRD5A2ALDH1A1 | |
| SCHEMBL17483864 | 0.81 | CES2 (0.64) | CES2NPSR1ACHESRD5A2ALDH1A1 | |
| SCHEMBL3361277 | 0.81 | CES2 (0.65) | CES2NPSR1ACHESRD5A2ALDH1A1 | |
| SCHEMBL28669423 | 0.81 | CES2 (0.65) | CES2NPSR1ACHESRD5A2ALDH1A1 | |
| SCHEMBL18409716 | 0.80 | CES2 (1.00) | CES2NPSR1ACHESRD5A2ALDH1A1 |
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-108083999-B | Green preparation method of alpha-hydroxyketone | 西北师范大学 | 2020-08-11 | — | — | CN | disclosed |