Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5381802 | 0.82 | RAB9A (0.48) | ALDH1A1ALOX12NPC1GFERSMN1; SMN2 | |
| SCHEMBL3239963 | 0.80 | ALDH1A1 (0.43) | ALDH1A1NPC1SMN1; SMN2RAB9AKMT2A | |
| SCHEMBL3239722 | 0.76 | KMT2A (0.42) | ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL27518003 | 0.74 | TSHR (0.57) | ALDH1A1NPC1RAB9AMAPK1KDM4E | |
| SCHEMBL20232820 | 0.72 | ALDH1A1 (0.61) | ALDH1A1ALOX12NPC1GFERSMN1; SMN2 | |
| SCHEMBL3239957 | 0.69 | ALDH1A1 (0.49) | ALDH1A1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL5371049 | 0.67 | KMT2A (0.49) | ALDH1A1NPC1SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL8807659 | 0.67 | NPC1 (0.49) | ALDH1A1NPC1SMN1; SMN2RAB9AHPGD | |
| SCHEMBL7396978 | 0.65 | CA12 (0.57) | ALDH1A1NPC1SMN1; SMN2RAB9AMAPK1 | |
| SCHEMBL12181631 | 0.63 | ALDH1A1 (0.74) | ALDH1A1ALOX12NPC1SMN1; SMN2RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1418176-B1 | Pyrazole derivates, their preparation and their use in drugs | SANOFI AVENTIS DEUTSCHLAND (DE) | 2010-04-28 | — | — | EP | disclosed |
| EP-1418176-A1 | Pyrazole derivates, their preparation and their use in drugs | Aventis Pharma Deutschland GmbH (DE) | 2004-05-12 | — | — | EP | disclosed |
| EP-0908456-B1 | Pyrazole derivatives, their preparation and their use in drugs | AVENTIS PHARMA GMBH (DE) | 2003-12-17 | — | — | EP | disclosed |
| EP-0908456-A1 | Pyrazole derivatives, their preparation and their use in drugs | Hoechst Marion Roussel Deutschland GmbH (DE) | 1999-04-14 | — | — | EP | disclosed |