Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21907373 | 0.98 | CHRM1 (0.56) | CHRM1RAB9ATDP1KMT2AALDH1A1 | |
| SCHEMBL18390251 | 0.86 | CHRM1 (0.74) | CHRM1RAB9AMAPK1CHRM3TSHR | |
| SCHEMBL3624311 | 0.84 | CHRM1 (0.52) | CHRM1RAB9AKMT2AMEN1MAPK1 | |
| SCHEMBL12282147 | 0.84 | KMT2A (0.62) | CHRM1RAB9AKMT2AALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL25272683 | 0.83 | CHRM1 (0.51) | CHRM1RAB9AKMT2AMAPK1TSHR | |
| SCHEMBL18390271 | 0.83 | CHRM1 (0.60) | CHRM1RAB9AKMT2AALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL25272684 | 0.83 | CHRM1 (0.51) | CHRM1RAB9AKMT2AMAPK1TSHR | |
| SCHEMBL18713065 | 0.82 | CHRM1 (0.53) | CHRM1RAB9AKMT2AALDH1A1MEN1 | |
| SCHEMBL25270944 | 0.80 | CHRM1 (0.51) | CHRM1RAB9AALDH1A1MAPK1KDM4E | |
| SCHEMBL25229063 | 0.80 | CHRM1 (0.51) | CHRM1RAB9AALDH1A1MAPK1KDM4E |
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 |