Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 4/20 | 0.43 |
| ▸ | HTR1D | P28221 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | L3MBTL4 | Q8NA19 | 1/20 | 0.37 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD4 | P21917 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 3/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8782085 | 0.79 | ALDH1A1 (0.34) | ALDH1A1L3MBTL1KDM4EGAA | |
| SCHEMBL21268421 | 0.78 | TSHR (0.35) | ALDH1A1TDP1L3MBTL1KDM4E | |
| SCHEMBL3525229 | 0.78 | LTA4H (0.36) | ALDH1A1DRD2DRD4DRD3KDM4E | |
| SCHEMBL8347703 | 0.76 | KDM4E (0.31) | ALDH1A1TDP1DRD2DRD4DRD3 | |
| SCHEMBL10887378 | 0.75 | NR5A1 (0.41) | ALDH1A1TDP1LMNAGAA | |
| SCHEMBL1207463 | 0.75 | NQO1 (0.37) | ALDH1A1TDP1L3MBTL1KDM4E | |
| SCHEMBL5542969 | 0.73 | HTR1B (0.53) | HTR1BHTR1DALDH1A1TDP1L3MBTL1 | |
| SCHEMBL2470398 | 0.71 | DRD2 (0.68) | HTR1BHTR1DL3MBTL1DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL21595673 | 0.69 | DRD2 (0.66) | HTR1BHTR1DDRD2DRD4DRD3 | |
| SCHEMBL21268273 | 0.69 | ALDH1A1 (0.32) | ALDH1A1L3MBTL1KDM4E |
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-7598274-B2 | N-methyl-4-{4-[5-(4-chloro-3-trifluoromethylphenylcarbamoyl)-1H-pyrrol-3-yl]-phenoxy}pyridine-2-carboxamide; Raf kinases inhibitors | MERCK PATENT GMBH (DE) | 2009-10-06 | — | — | US | claimed |