Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | GALR3 | O60755 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.39 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL397532 | 0.89 | GPR35 (0.62) | GPR35SMN1; SMN2MEN1KMT2AHTT | |
| SCHEMBL395354 | 0.86 | ALDH1A1 (0.52) | GPR35SMN1; SMN2MEN1KMT2AHTT | |
| SCHEMBL31634157 | 0.80 | ALDH1A1 (0.58) | GPR35SMN1; SMN2MEN1KMT2AHTT | |
| SCHEMBL690829 | 0.79 | GPR35 (0.78) | GPR35SMN1; SMN2MEN1KMT2AHTT | |
| SCHEMBL1600577 | 0.79 | GPR35 (0.57) | GPR35SMN1; SMN2MEN1KMT2AHTT | |
| SCHEMBL14210874 | 0.77 | SMN1; SMN2 (0.46) | GPR35SMN1; SMN2MEN1KMT2AHTT | |
| SCHEMBL1600086 | 0.75 | GPR35 (0.65) | GPR35SMN1; SMN2MEN1KMT2AHTT | |
| SCHEMBL769557 | 0.75 | SMN1; SMN2 (0.44) | GPR35SMN1; SMN2MEN1KMT2AHTT | |
| SCHEMBL18467780 | 0.75 | SMN1; SMN2 (0.44) | GPR35SMN1; SMN2MEN1KMT2AHTT | |
| SCHEMBL376977 | 0.75 | SMN1; SMN2 (0.44) | GPR35SMN1; SMN2MEN1KMT2AHTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-101478964-B | Compositions of N- [2, 4-bis (1, 1-dimethylethyl) -5-hydroxyphenyl ] -1, 4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMA CO LTD | 2012-02-29 | — | — | CN | disclosed |
| CN-101478964-A | Compositions of N- [2, 4-bis (1, 1-dimethylethyl) -5-hydroxyphenyl ] -1, 4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMA (US) | 2009-07-08 | — | — | CN | disclosed |
| CN-101384172-A | Solid forms of N- [2, 4-bis (1, 1-dimethylethyl) -5-hydroxyphenyl ] -1, 4-dihydro-4-oxoquinoline-3-carboxamide | VERTEX PHARMA (US) | 2009-03-11 | — | — | CN | disclosed |