Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | PRKCI | P41743 | 1/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | TYMP | P19971 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8220603 | 0.83 | ALDH1A1 (0.53) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL8220809 | 0.81 | ALDH1A1 (0.50) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL8212270 | 0.79 | ALDH1A1 (0.49) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL8220691 | 0.79 | ALDH1A1 (0.49) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL8219861 | 0.79 | ALDH1A1 (0.49) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL8220600 | 0.76 | ALDH1A1 (0.45) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL21514162 | 0.73 | METAP2 (0.66) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL24087861 | 0.72 | CYP1A2 (0.57) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| Phthalazinone SCHEMBL51553 | 0.71 | PARP1 (1.00) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 | |
| SCHEMBL577268 | 0.71 | KDM4E (0.49) | ALDH1A1PARP1PRKCIPDE4BHSD17B10 |
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-2008019303-A2 | PYRIDAZINONYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | disclosed |