Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30283336 | 0.87 | ROCK1 (0.39) | ALDH1A1KDM4EROCK1HSD17B10IP6K1 | |
| SCHEMBL31719950 | 0.86 | ALDH1A1 (0.36) | ALDH1A1KDM4EMAPTSMN1; SMN2ROCK1 | |
| SCHEMBL30283623 | 0.86 | ROCK1 (0.39) | ALDH1A1KDM4EROCK1HSD17B10IP6K1 | |
| SCHEMBL31719905 | 0.82 | KDM4E (0.39) | ALDH1A1KDM4EMAPTSMN1; SMN2HTT | |
| SCHEMBL30283918 | 0.81 | ROCK1 (0.38) | ROCK1CYP1A2IP6K1CYP3A4CYP2D6 | |
| SCHEMBL30283445 | 0.80 | ROCK1 (0.37) | ALDH1A1KDM4EROCK1HSD17B10CYP1A2 | |
| SCHEMBL31719833 | 0.78 | ROCK1 (0.34) | ALDH1A1ROCK1IP6K1MEN1KMT2A | |
| SCHEMBL31719957 | 0.78 | ROCK1 (0.34) | ALDH1A1ROCK1IP6K1MEN1KMT2A | |
| SCHEMBL31719858 | 0.78 | ROCK1 (0.34) | ALDH1A1ROCK1IP6K1MEN1KMT2A | |
| SCHEMBL30227912 | 0.78 | IGLV6-57 (0.50) | ALDH1A1KDM4EMAPTSMN1; SMN2HTT |
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-2023034344-A1 | ISOQUINOLINONES AND QUINOLINONES AS MODULATORS OF POLRMT | PRETZEL THERAPEUTICS, INC. (US) | 2023-03-09 | — | — | WO | disclosed |