Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3346154 | 0.80 | KDM4E (0.42) | KMT2AALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL14029004 | 0.79 | KMT2A (0.50) | KMT2AOPRK1ALDH1A1KDM4EHPGD | |
| SCHEMBL15632250 | 0.79 | KMT2A (0.50) | KMT2AOPRK1ALDH1A1KDM4EHPGD | |
| SCHEMBL4357760 | 0.76 | ESR1 (0.56) | KMT2AOPRK1ALDH1A1KDM4EHPGD | |
| SCHEMBL15549942 | 0.76 | KMT2A (0.47) | KMT2AOPRK1ALDH1A1KDM4EHPGD | |
| SCHEMBL8571925 | 0.75 | ALDH1A1 (0.53) | KMT2AOPRK1ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL15583578 | 0.71 | KMT2A (0.43) | KMT2AOPRK1ALDH1A1KDM4EHPGD | |
| Emoxypine SCHEMBL29362452 | 0.71 | KDM4E (0.72) | KMT2AOPRK1ALDH1A1KDM4EHPGD | |
| Emoxypine SCHEMBL195347 | 0.71 | KDM4E (0.72) | KMT2AOPRK1ALDH1A1KDM4EHPGD | |
| SCHEMBL29391332 | 0.71 | METAP2 (0.52) | KMT2AOPRK1ALDH1A1HPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2877185-B1 | 2-(1-(1-(6-((CYCLOHEXYL)OXY)-5-(TRIFLUOROMETHYL)NAPHTHALEN-2-YL)ETHYL)PIPERIDIN-3-YL)ACETIC ACID DERIVATIVES AS AUTOTAXIN (ATX) MODULATORS FOR THE TREATMENT OF INFLAMMATIONS AND AUTOIMMUNE DISORDERS | BIOGEN MA INC (US) | 2018-05-23 | — | — | EP | disclosed |