Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.43 |
| ▸ | CACNB1 | Q02641 | 3/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.43 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL2905980 | 0.89 | ALDH1A1 (0.42) | ALDH1A1TSHRMAPTKDM4ENPC1 | |
| SCHEMBL2908989 | 0.89 | KMT2A (0.44) | SMN1; SMN2ALDH1A1TSHRHTTKMT2A | |
| SCHEMBL2905283 | 0.88 | ALDH1A1 (0.52) | ALDH1A1TSHRHTTKMT2AMAPT | |
| SCHEMBL2905924 | 0.86 | OPRD1 (0.40) | SMN1; SMN2ALDH1A1TSHRHTTKMT2A | |
| SCHEMBL2908995 | 0.86 | BRAF (0.46) | ALDH1A1TSHRHTTKMT2AMAPT | |
| SCHEMBL2910374 | 0.85 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1TSHRHTTKMT2A | |
| SCHEMBL2907051 | 0.84 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1TSHRHTTKMT2A | |
| SCHEMBL2901677 | 0.82 | MAPT (0.39) | SMN1; SMN2ALDH1A1TSHRHTTKMT2A | |
| SCHEMBL2902713 | 0.79 | CYP3A4 (0.42) | ALDH1A1TSHRMAPTKDM4ENPC1 | |
| SCHEMBL2908049 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TSHRHTTKMT2AKDM4E |
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-1611107-B1 | 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS | MERCK PATENT GMBH (DE) | 2010-08-18 | — | — | EP | claimed |