Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CASP3 | P42574 | 2/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL811160 | 0.80 | NPSR1 (0.53) | NPSR1KDM4EKIF11KMT2ACASP3 | |
| SCHEMBL29595709 | 0.80 | NPSR1 (0.53) | NPSR1KDM4EKIF11KMT2ACASP3 | |
| SCHEMBL16538344 | 0.79 | KIF11 (0.42) | KIF11KDM1AMAOB | |
| SCHEMBL8303859 | 0.72 | KDM1A (0.37) | KDM4EKDM1AALDH1A1 | |
| SCHEMBL6184163 | 0.71 | KMO (0.52) | KDM4EKDM1AMAOBALDH1A1 | |
| SCHEMBL25012750 | 0.71 | NPSR1 (0.46) | NPSR1KDM4EKIF11KMT2ACASP3 | |
| SCHEMBL27344645 | 0.70 | KIF11 (0.63) | NPSR1KDM4EKIF11KMT2ACASP3 | |
| SCHEMBL18224103 | 0.70 | NPSR1 (0.40) | NPSR1KDM4EKIF11KMT2ACASP3 | |
| SCHEMBL24689583 | 0.69 | CCR1 (0.64) | NPSR1KDM4EKIF11KMT2ACASP3 | |
| SCHEMBL28074571 | 0.69 | TRPV4 (0.42) | TRPV3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105612153-A | Substituted sulfonamide compounds as TRPA1 conditioner | HOFFMANN LA ROCHE | 2016-05-25 | — | — | CN | disclosed |