Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4D | Q6B0I6 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5227650 | 0.95 | SIRT1 (0.35) | ALDH1A1KDM4EGAAPOLBHPGD | |
| SCHEMBL5228511 | 0.84 | MAPT (0.38) | ALDH1A1KDM4EPOLBHPGDTSHR | |
| SCHEMBL2003026 | 0.80 | GSK3B (0.33) | ALDH1A1GAAMAPTLMNA | |
| SCHEMBL1998839 | 0.80 | GSK3B (0.34) | ALDH1A1GAAKDM4DLMNA | |
| SCHEMBL1998346 | 0.79 | GSK3B (0.34) | SMN1; SMN2NPC1RAB9AL3MBTL1MAPT | |
| SCHEMBL2001021 | 0.79 | LMNA (0.33) | ALDH1A1GAAADORA2AMAPTLMNA | |
| SCHEMBL2000118 | 0.79 | KCNH2 (0.33) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL2908342 | 0.78 | ITGB2 (0.38) | ALDH1A1KDM4EGAAPOLBHPGD | |
| SCHEMBL5907357 | 0.71 | HTR1A (0.39) | ALDH1A1KMT2ALMNA | |
| SCHEMBL5228031 | 0.70 | MAPK1 (0.40) | MAPK1 |
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-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |