Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL16505517 | 0.85 | PTGER4 (0.40) | HCAR3KDM4EALDH1A1TDP1HTT | |
| SCHEMBL25027546 | 0.79 | HCAR3 (0.39) | HCAR3KDM4EALDH1A1TDP1MAPK14 | |
| SCHEMBL29363893 | 0.79 | HCAR3 (0.39) | HCAR3KDM4EALDH1A1TDP1MAPK14 | |
| SCHEMBL16517756 | 0.78 | PTGER4 (0.50) | HCAR3KDM4EALDH1A1RAB9A | |
| SCHEMBL16517545 | 0.78 | HCAR3 (0.41) | HCAR3KDM4EALDH1A1TDP1MAPK14 | |
| SCHEMBL4765548 | 0.72 | MAOB (0.41) | KDM4EALDH1A1HPGDHTTRAB9A | |
| SCHEMBL16517241 | 0.72 | MAPT (0.44) | HCAR3KDM4EALDH1A1POLBHPGD | |
| SCHEMBL591448 | 0.69 | KDM4C (0.59) | HCAR3KDM4E | |
| SCHEMBL15574129 | 0.68 | MMP2 (0.44) | ALDH1A1HTTKMT2A | |
| SCHEMBL24679021 | 0.68 | EIF4A3 (0.37) | ALDH1A1KMT2ALMNA |
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 |