Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.42 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24951715 | 0.84 | ALDH1A1 (0.59) | GAACES2ALDH1A1MAOBPOLB | |
| SCHEMBL28630576 | 0.84 | ALDH1A1 (0.59) | GAACES2ALDH1A1MAOBPOLB | |
| SCHEMBL11283146 | 0.80 | CES2 (0.49) | GAACES2ALDH1A1POLBCYP1A2 | |
| SCHEMBL11283149 | 0.80 | CES2 (0.49) | GAACES2ALDH1A1POLBCYP1A2 | |
| Butane SCHEMBL27384864 | 0.79 | ALDH1A1 (0.61) | CES2ALDH1A1MAOBPOLBCYP1A2 | |
| Benzene SCHEMBL28007804 | 0.79 | CES2 (0.69) | CES2MAOBPOLBNPSR1PARP1 | |
| SCHEMBL10399109 | 0.78 | CES2 (0.47) | GAACES2ALDH1A1MAOBPOLB | |
| SCHEMBL10399189 | 0.78 | CES2 (0.47) | GAACES2ALDH1A1MAOBPOLB | |
| SCHEMBL10399108 | 0.78 | CES2 (0.47) | GAACES2ALDH1A1MAOBPOLB | |
| Acetic Acid SCHEMBL10340449 | 0.77 | CES2 (0.62) | CES2ALDH1A1MAOBPOLBCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0763020-A1 | SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES | ZENECA LIMITED (GB) | 1997-03-19 | — | — | EP | disclosed |
| WO-1995033719-A1 | SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES | ZENECA LIMITED (GB) | 1995-12-14 | — | — | WO | disclosed |