Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TRPV3 | Q8NET8 | 6/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 2/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | NPR1 | P16066 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16505575 | 0.88 | ALOX5 (0.39) | HCAR3ALDH1A1KDM4ETDP1TRPV3 | |
| SCHEMBL16517618 | 0.78 | HCAR3 (0.48) | HCAR3ALDH1A1KDM4ETDP1MAPK14 | |
| SCHEMBL16517000 | 0.74 | MAP3K14 (0.51) | — | |
| SCHEMBL16506486 | 0.74 | PTGER4 (0.39) | HCAR3ALDH1A1KDM4EL3MBTL1MAPK14 | |
| SCHEMBL16517003 | 0.74 | HCAR3 (0.31) | HCAR3 | |
| SCHEMBL16516537 | 0.72 | IDO1 (0.41) | HCAR3ALDH1A1KDM4E | |
| SCHEMBL16506089 | 0.69 | HCAR3 (0.41) | HCAR3ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL18508246 | 0.66 | KDM4E (0.41) | HCAR3ALDH1A1KDM4ETDP1 | |
| SCHEMBL18508300 | 0.66 | KDM4E (0.41) | HCAR3ALDH1A1KDM4ETDP1 | |
| SCHEMBL11907190 | 0.66 | PIM1 (0.45) | ALDH1A1KDM4EMAPK14 |
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-3036229-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015025026-A1 | ALKYNYL ALCOHOLS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-02-26 | — | — | WO | disclosed |