Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | MEN1 | O00255 | 6/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.65 |
| ▸ | POLB | P06746 | 4/20 | 0.65 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.60 |
| ▸ | SCN1A | P35498 | 1/20 | 0.60 |
| ▸ | SCN4A | P35499 | 1/20 | 0.60 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.60 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.60 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.60 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.60 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL826283 | 0.86 | ALDH1A1 (0.84) | TDP1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL183941 | 0.85 | SCN3A (0.60) | TDP1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL826391 | 0.85 | SCN3A (0.60) | TDP1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL183942 | 0.85 | SCN3A (0.60) | TDP1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL15113161 | 0.81 | TDP1 (1.00) | TDP1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL13651636 | 0.80 | ALDH1A1 (0.84) | TDP1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL10031619 | 0.80 | ALDH1A1 (0.84) | TDP1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL1091645 | 0.79 | TDP1 (0.73) | TDP1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL1102252 | 0.78 | KMT2A (1.00) | TDP1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL1101958 | 0.77 | MEN1 (0.75) | TDP1KDM4EALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009064747-A2 | 4(-3-(-2-(PHENYL)MORPHOLINO)-2-OXOPYRROLIDIN-1-YL)-N-(THIAZOL-2-YL)BENZENESULFONAMIDE DERIVATI VES AND RELATED COMPOUNDS AS MODULATORS OF ION CHANNELS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-05-22 | — | — | WO | disclosed |