Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.33 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.33 |
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 | 0.92 | ALDH1A1 (0.42) | ALDH1A1LMNAUSP2KDM4ENPC1 | |
| SCHEMBL2904791 | 0.89 | CYP3A4 (0.42) | ALDH1A1LMNAUSP2KDM4ENPC1 | |
| SCHEMBL2902613 | 0.87 | PIK3R1 (0.37) | ALDH1A1LMNAKDM4EGAANPSR1 | |
| SCHEMBL2903067 | 0.87 | OPRD1 (0.37) | KMT2APIK3R1PIK3CA | |
| SCHEMBL2907051 | 0.86 | ALDH1A1 (0.41) | ALDH1A1LMNAUSP2KDM4ENPC1 | |
| SCHEMBL2905283 | 0.85 | ALDH1A1 (0.52) | ALDH1A1LMNAUSP2KDM4ENPC1 | |
| SCHEMBL2902229 | 0.85 | SMN1; SMN2 (0.47) | ALDH1A1LMNAUSP2KDM4ENPC1 | |
| SCHEMBL2902357 | 0.85 | HRH3 (0.37) | ALDH1A1LMNAUSP2KDM4ENPC1 | |
| Morpholine SCHEMBL2905731 | 0.84 | OPRD1 (0.35) | LMNAMAPTTP53PIK3R1PIK3CA | |
| SCHEMBL2908848 | 0.83 | LRRK2 (0.36) | LMNAMAPTPIK3R1PIK3CAMCL1 |
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 |