Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM2B | Q8NHM5 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5228002 | 0.85 | TSHR (0.39) | KMT2AALDH1A1NPC1KDM4EPOLB | |
| SCHEMBL5225875 | 0.80 | CYP2D6 (0.36) | ALDH1A1MAPTCYP3A4CYP2C9POLB | |
| SCHEMBL5223970 | 0.78 | ADORA2A (0.40) | ALDH1A1MAPTLMNA | |
| SCHEMBL5222786 | 0.77 | GRM2 (0.38) | KDM4E | |
| SCHEMBL2761177 | 0.77 | DRD4 (0.42) | KMT2AALDH1A1MEN1MAPTKDM4E | |
| SCHEMBL2761237 | 0.76 | SMO (0.43) | ALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL2761009 | 0.76 | SMO (0.43) | ALDH1A1MAPTLMNA | |
| Hydrochloric Acid SCHEMBL1997589 | 0.75 | SMO (0.42) | ALDH1A1MAPTLMNAKDM4E | |
| SCHEMBL5228047 | 0.74 | HTR2C (0.37) | ALDH1A1KDM4E | |
| SCHEMBL2761137 | 0.73 | SMO (0.41) | KMT2AALDH1A1MAPTLMNAPOLB |
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 |