Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 5/20 | 0.52 |
| ▸ | BCR | P11274 | 2/20 | 0.52 |
| ▸ | PRKDC | P78527 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | AKT1 | P31749 | 2/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | RAF1 | P04049 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28042885 | 0.90 | GALR2 (0.51) | ABL1BCRKDM4EMCHR1MAPT | |
| SCHEMBL4358342 | 0.85 | ABL1 (0.56) | ABL1BCRPRKDCKDM4ETDP1 | |
| SCHEMBL28043075 | 0.85 | NPSR1 (0.47) | KDM4ETDP1AKT1PIK3CAMTOR | |
| SCHEMBL28042881 | 0.80 | ABL1 (0.49) | ABL1BCRPRKDCKDM4ETDP1 | |
| SCHEMBL4124009 | 0.78 | PIK3CA (0.47) | ABL1BCRPRKDCKDM4ETDP1 | |
| SCHEMBL4358479 | 0.77 | ABL1 (0.55) | ABL1BCRKDM4EAKT1PIK3CA | |
| SCHEMBL3450413 | 0.77 | ABL1 (0.56) | ABL1BCRTDP1AKT1PIK3CA | |
| SCHEMBL3996650 | 0.76 | ABL1 (0.56) | ABL1BCRAKT1PIK3CAMTOR | |
| SCHEMBL3997867 | 0.74 | L3MBTL1 (0.50) | ABL1BCRKDM4EMCHR1PIM1 | |
| SCHEMBL4281796 | 0.74 | ABL1 (0.48) | ABL1BCRAKT1PIK3CAMTOR |
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-105143188-A | Novel sulfonamide trpa1 receptor antagonists | PHARMESTE S R L IN LIQUIDATION | 2015-12-09 | — | — | CN | disclosed |