Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.48 |
| ▸ | LMNA | P02545 | 6/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2905435 | 0.88 | KDM4E (0.53) | KDM4ELMNAAGTR1POLBTDP1 | |
| SCHEMBL2901692 | 0.81 | KDM4E (0.60) | KDM4ELMNAAGTR1ALDH1A1MAPT | |
| SCHEMBL2904861 | 0.81 | POLB (0.55) | KDM4ELMNAAGTR1POLBTDP1 | |
| SCHEMBL2908465 | 0.79 | ALDH1A1 (0.53) | KDM4ELMNAPOLBALDH1A1MAPT | |
| SCHEMBL2907387 | 0.76 | ALDH1A1 (0.56) | KDM4ELMNAPOLBALDH1A1MAPT | |
| SCHEMBL2906130 | 0.74 | CYP2A13 (0.53) | KDM4ELMNAPOLBALDH1A1MAPT | |
| SCHEMBL2905339 | 0.70 | ALDH1A1 (0.53) | KDM4ELMNAPOLBTDP1ALDH1A1 | |
| SCHEMBL2902533 | 0.70 | KMT2A (0.52) | KDM4ELMNAPOLBTDP1RECQL | |
| SCHEMBL2902349 | 0.69 | KDM4E (0.56) | KDM4ELMNAAGTR1ALDH1A1MAPT | |
| SCHEMBL6048538 | 0.69 | TAAR1 (0.50) | KDM4ETDP1ALDH1A1MAPTHPGD |
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 |