Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 5/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | TSHR | P16473 | 5/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | CASP7 | P55210 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TCF4 | P15884 | 2/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28556819 | 0.90 | CYP2C9 (0.77) | CYP2C9ALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL15830615 | 0.86 | CYP2C9 (0.64) | CYP2C9ALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL15830513 | 0.86 | CYP2C9 (0.64) | CYP2C9ALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL7573928 | 0.85 | CYP2C9 (0.82) | CYP2C9ALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL15830581 | 0.84 | ALDH1A1 (0.81) | CYP2C9ALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL7569777 | 0.84 | CYP2C9 (0.64) | CYP2C9ALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL7572555 | 0.81 | CYP2C9 (0.60) | CYP2C9ALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL15830076 | 0.81 | POLB (0.63) | CYP2C9ALDH1A1TSHRNPSR1KDM4E | |
| SCHEMBL7573875 | 0.80 | KEAP1 (0.55) | ALDH1A1TSHRNPSR1HSD17B10LMNA | |
| SCHEMBL15830515 | 0.80 | ALDH1A1 (0.62) | CYP2C9ALDH1A1TSHRNPSR1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1239852-A2 | BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS | Arrow Therapeutics Limited (GB) | 2002-09-18 | — | — | EP | disclosed |
| WO-2001028537-A2 | BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS | ARROW THERAPEUTICS LIMITED (GB) | 2001-04-26 | — | — | WO | disclosed |