Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL991376 | 1.00 | HPGD (0.55) | HPGDALDH1A1GRM5SMN1; SMN2NPC1 | |
| SCHEMBL990289 | 0.82 | EPHX2 (0.53) | HPGDALDH1A1GRM5SMN1; SMN2LMNA | |
| SCHEMBL16390663 | 0.82 | EPHX2 (0.53) | HPGDALDH1A1GRM5SMN1; SMN2LMNA | |
| SCHEMBL991625 | 0.81 | GRM5 (0.49) | ALDH1A1GRM5SMN1; SMN2NPC1RAB9A | |
| SCHEMBL990909 | 0.81 | GRM5 (0.45) | HPGDGRM5L3MBTL1 | |
| SCHEMBL990109 | 0.80 | GRM5 (0.42) | GRM5GAACYP3A4CYP2C19L3MBTL1 | |
| SCHEMBL3694789 | 0.80 | GRM5 (0.42) | GRM5GAACYP3A4CYP2C19L3MBTL1 | |
| SCHEMBL991436 | 0.80 | KDM4E (0.49) | HPGDGRM5SMN1; SMN2RAB9AKMT2A | |
| SCHEMBL3772781 | 0.80 | KDM4E (0.49) | HPGDGRM5SMN1; SMN2RAB9AKMT2A | |
| SCHEMBL990847 | 0.80 | GRM5 (0.49) | HPGDALDH1A1GRM5NPC1RAB9A |
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-1877365-A1 | ACETYLENE DERIVATIVES | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006114262-A1 | ACETYLENE DERIVATIVES | NOVARTIS AG (CH) | 2006-11-02 | — | — | WO | disclosed |