Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.34 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.34 |
| ▸ | ITGAL | P20701 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 4/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.31 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.31 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2905202 | 0.87 | CHRM1 (0.36) | MCHR1 | |
| SCHEMBL2904631 | 0.86 | MCHR1 (0.40) | MCHR1SIRT1MAPTGAAMEN1 | |
| SCHEMBL2902344 | 0.85 | CCR5 (0.36) | MCHR1MAPTSMN1; SMN2GAAKDM4E | |
| SCHEMBL2904850 | 0.80 | NTRK1 (0.34) | ITGB2ICAM1ITGALSIRT1MAPT | |
| SCHEMBL2908342 | 0.77 | ITGB2 (0.38) | ITGB2ICAM1ITGALSIRT1PDCD1 | |
| SCHEMBL2909115 | 0.76 | PTK2 (0.36) | SIRT1MAPTSMN1; SMN2GAAMEN1 | |
| SCHEMBL2905003 | 0.75 | SIRT1 (0.38) | SIRT1CD274MAPTSMN1; SMN2GAA | |
| SCHEMBL2904802 | 0.74 | P4HB (0.38) | SIRT1PDCD1CD274MAPTSMN1; SMN2 | |
| SCHEMBL2902618 | 0.74 | MCHR1 (0.38) | MCHR1SMN1; SMN2KDM4EPOLBMAPK1 | |
| SCHEMBL2901687 | 0.74 | TSHR (0.38) | SIRT1MAPTSMN1; SMN2GAAMEN1 |
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 3 patents. 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 |
| EP-1611107-A1 | 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS | MERCK PATENT GmbH (DE) | 2006-01-04 | — | — | EP | disclosed |
| WO-2004089910-A1 | 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS | MERCK PATENT GMBH (DE) | 2004-10-21 | — | — | WO | disclosed |