Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16168181 | 0.85 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDHTTMAPT | |
| SCHEMBL23888895 | 0.85 | HTT (0.48) | ALDH1A1KDM4EHPGDHTTMAPT | |
| SCHEMBL12534230 | 0.83 | KDM4E (0.49) | ALDH1A1KDM4EHPGDHTTMAPT | |
| SCHEMBL2770512 | 0.80 | ALDH1A1 (0.67) | ALDH1A1KDM4EHPGDPPARGPPARA | |
| SCHEMBL23888902 | 0.79 | HPGDS (0.54) | ALDH1A1KDM4EHPGDHTTMAPT | |
| SCHEMBL154613 | 0.78 | NPC1 (0.66) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL901018 | 0.78 | ALDH1A1 (0.65) | ALDH1A1KDM4EHPGDPPARGPPARA | |
| SCHEMBL29399711 | 0.78 | NPC1 (0.66) | ALDH1A1KDM4EHPGDMAPTNPC1 | |
| SCHEMBL365917 | 0.78 | ALDH1A1 (0.65) | ALDH1A1KDM4EHPGDPPARGPPARA | |
| SCHEMBL2553094 | 0.78 | NPC1 (0.66) | ALDH1A1KDM4EHPGDMAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105358547-A | Phenylpyrazole derivatives as potent rock1 and rock2 inhibitors | BRISTOL MYERS SQUIBB CO | 2016-02-24 | — | — | CN | disclosed |
| WO-2012029942-A1 | CYCLIC AMIDE DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2012-03-08 | — | — | WO | disclosed |