Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 2/20 | 0.35 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL982312 | 0.90 | MAOB (0.39) | HCRTR1SMN1; SMN2KDM4EPGRRAB9A | |
| SCHEMBL980746 | 0.87 | KIF11 (0.42) | KIF11 | |
| SCHEMBL979241 | 0.85 | MET (0.40) | RAB9AALDH1A1KIF11METNPC1 | |
| SCHEMBL980074 | 0.80 | MET (0.44) | KDM4EALDH1A1HPGDMET | |
| SCHEMBL980244 | 0.75 | MAOA (0.40) | SMN1; SMN2KDM4ERAB9AALDH1A1HPGD | |
| SCHEMBL5046612 | 0.73 | GRM5 (0.37) | HCRTR1BCL2A1SMN1; SMN2KDM4EPGR | |
| SCHEMBL981265 | 0.72 | KIF11 (0.45) | ALDH1A1KIF11MET | |
| SCHEMBL17004377 | 0.66 | MET (0.44) | HCRTR1SMN1; SMN2KDM4ERAB9AALDH1A1 | |
| SCHEMBL17004402 | 0.66 | ORAI1 (0.49) | SMN1; SMN2KDM4EPGRALDH1A1 | |
| SCHEMBL17004388 | 0.66 | GRM5 (0.39) | HCRTR1SMN1; SMN2KDM4EPGRRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |