Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 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 | |
|---|---|---|---|---|
| SCHEMBL1695688 | 1.00 | KDM4E (0.66) | KDM4ESMN1; SMN2ALDH1A1LMNANPC1 | |
| SCHEMBL1695828 | 0.89 | KDM4E (0.58) | KDM4ESMN1; SMN2ALDH1A1LMNANPC1 | |
| SCHEMBL1695910 | 0.89 | KDM4E (0.58) | KDM4ESMN1; SMN2ALDH1A1LMNANPC1 | |
| SCHEMBL1695814 | 0.84 | KDM4E (0.53) | KDM4ESMN1; SMN2ALDH1A1LMNANPC1 | |
| SCHEMBL4726835 | 0.82 | NPC1 (0.75) | KDM4ESMN1; SMN2ALDH1A1LMNANPC1 | |
| SCHEMBL23488101 | 0.80 | KDM4E (1.00) | KDM4ESMN1; SMN2ALDH1A1LMNANPC1 | |
| SCHEMBL1695577 | 0.78 | GPBAR1 (0.63) | KDM4ESMN1; SMN2ALDH1A1PDE10AMAPT | |
| SCHEMBL7703187 | 0.78 | GPBAR1 (0.63) | KDM4ESMN1; SMN2ALDH1A1PDE10AMAPT | |
| SCHEMBL1695576 | 0.78 | GPBAR1 (0.63) | KDM4ESMN1; SMN2ALDH1A1PDE10AMAPT | |
| SCHEMBL23488102 | 0.77 | KDM4E (0.80) | KDM4ESMN1; SMN2ALDH1A1LMNANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011138657-A1 | ARYL SUBSTITUTED OLEFINIC COMPOUNDS AS PDE10A INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-11-10 | — | — | WO | disclosed |
| WO-2011138657-A1 | ARYL SUBSTITUTED OLEFINIC COMPOUNDS AS PDE10A INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-11-10 | — | — | WO | disclosed |