Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | VNN1 | O95497 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.42 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.41 |
| ▸ | CHRNG | P07510 | 1/20 | 0.41 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CHRND | Q07001 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL289633 | 0.88 | CES2 (0.67) | CES2CES1PARP1VNN1CHRNA1 | |
| SCHEMBL29781365 | 0.88 | CES2 (0.67) | CES2CES1PARP1VNN1CHRNA1 | |
| SCHEMBL28968857 | 0.86 | CES2 (0.64) | CES2CES1PARP1VNN1CHRNA1 | |
| SCHEMBL31188464 | 0.86 | CES2 (0.64) | CES2CES1PARP1VNN1CHRNA1 | |
| Hydrochloric Acid SCHEMBL29689719 | 0.86 | CES2 (0.64) | CES2CES1PARP1VNN1CHRNA1 | |
| Hydrochloric Acid SCHEMBL6831261 | 0.86 | CES2 (0.64) | CES2CES1PARP1VNN1CHRNA1 | |
| Terephthalamide SCHEMBL30182529 | 0.82 | PARP1 (0.56) | CES1PARP1 | |
| Trifluoroacetic Acid SCHEMBL30849231 | 0.79 | PTPN11 (0.45) | CES2CES1PARP1SLC22A12DPP4 | |
| Trifluoroacetic Acid SCHEMBL10277408 | 0.79 | PARP1 (0.59) | CES1PARP1 | |
| Trifluoroacetic Acid SCHEMBL29713373 | 0.79 | PARP1 (0.59) | CES1PARP1 |
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-1432693-A2 | MCH RECEPTOR ANTAGONISTS | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003028641-A2 | MCH RECEPTOR ANTAGONISTS | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2003-04-10 | — | — | WO | disclosed |