Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | PGR | P06401 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL981784 | 0.88 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPTHTTHSD17B10 | |
| SCHEMBL982365 | 0.87 | KDM4E (0.55) | ALDH1A1LMNAMAPTHTTHSD17B10 | |
| SCHEMBL981499 | 0.85 | ALDH1A1 (0.45) | ALDH1A1LMNAMAPTHTTHSD17B10 | |
| SCHEMBL982411 | 0.84 | MAPT (0.55) | ALDH1A1LMNAMAPTHTTHSD17B10 | |
| SCHEMBL982034 | 0.83 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTHTTHSD17B10 | |
| SCHEMBL980554 | 0.82 | HPGD (0.48) | ALDH1A1LMNAMAPTHSD17B10MAPK1 | |
| SCHEMBL979242 | 0.80 | ALDH1A1 (0.56) | ALDH1A1LMNAMAPTSMN1; SMN2PGR | |
| SCHEMBL982164 | 0.79 | KDM4E (0.48) | ALDH1A1LMNAMAPTHTTHSD17B10 | |
| SCHEMBL980170 | 0.77 | KMT2A (0.56) | ALDH1A1MAPTKDM4ESMN1; SMN2MEN1 | |
| SCHEMBL982007 | 0.77 | ME2 (0.51) | ALDH1A1LMNAMAPTSMN1; SMN2PGR |
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-1917248-B1 | 1-ACYLDIHYDROPYRAZOL DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-08-19 | — | — | EP | claimed |
| US-7875644-B2 | tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas | MERCK PATENT GMBH (DE) | 2011-01-25 | — | — | US | claimed |
| EP-1917248-B1 | 1-ACYLDIHYDROPYRAZOL DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-08-19 | — | — | EP | disclosed |