Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15730116 | 0.83 | L3MBTL1 (0.52) | ALDH1A1MAPTNPC1RAB9AL3MBTL1 | |
| SCHEMBL24391135 | 0.81 | PDE3B (0.46) | ALDH1A1SMN1; SMN2KDM4EMAPTMAP4K4 | |
| SCHEMBL5685338 | 0.81 | NPC1 (0.49) | ALDH1A1SMN1; SMN2KDM4EMAPTNPC1 | |
| SCHEMBL7089197 | 0.79 | MAP4K4 (0.42) | ALDH1A1SMN1; SMN2KDM4EMAPTNPC1 | |
| SCHEMBL15731251 | 0.78 | PDE2A (0.48) | ALDH1A1SMN1; SMN2NPC1RAB9APLA2G7 | |
| SCHEMBL20595575 | 0.78 | HSP90AA1 (0.44) | RAB9ACYP3A4TSHRHSP90AA1HSP90AB1 | |
| SCHEMBL31501737 | 0.77 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2KDM4EMAPTNPC1 | |
| SCHEMBL19814079 | 0.77 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2KDM4EMAPTNPC1 | |
| SCHEMBL302092 | 0.75 | CYP3A4 (0.65) | ALDH1A1SMN1; SMN2KDM4EMAPTNPC1 | |
| SCHEMBL3421959 | 0.75 | MKNK1 (0.52) | SMN1; SMN2KDM4EMAPTNPC1GAA |
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-2598481-A1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | Bristol-Myers Squibb Company (US) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012015723-A1 | SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-02 | — | — | WO | disclosed |