Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10600302 | 0.78 | CA12 (0.39) | CYP2C19PDCD1CD274ALDH1A1TRPA1 | |
| Hydrochloric Acid SCHEMBL2480213 | 0.77 | PDCD1LG2 (0.39) | CYP2C19CD274KMT2AALDH1A1HPGD | |
| SCHEMBL7561117 | 0.75 | CYP2C19 (0.49) | CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL10599254 | 0.75 | SMN1; SMN2 (0.44) | CYP2C19KMT2AALDH1A1HPGDBCL2L1 | |
| SCHEMBL7438146 | 0.70 | PDCD1LG2 (0.40) | CYP2C19CD274KMT2AALDH1A1HPGD | |
| SCHEMBL2474135 | 0.70 | PDCD1LG2 (0.40) | CYP2C19CD274KMT2AALDH1A1HPGD | |
| SCHEMBL11122120 | 0.70 | CYP2C19 (0.46) | CYP2C19KMT2AUSP2HTTKCNQ2 | |
| SCHEMBL9247570 | 0.69 | HSP90AA1 (0.39) | KMT2AALDH1A1HPGDBCL2L1HSD17B10 | |
| SCHEMBL7105245 | 0.68 | CA12 (0.39) | PDCD1CD274ALDH1A1HPGDBCL2L1 | |
| SCHEMBL8717008 | 0.68 | ALDH1A1 (0.40) | PDCD1CD274KMT2AALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002079140-A1 | NOVEL POLYVALENT CARBOXYLIC ACID ESTERS AND THEIR USE IN PLASTIC LENS COMPOSITIONS | SHOWA DENKO K. K. (JP) | 2002-10-10 | — | — | WO | disclosed |