Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL11905579 | 0.85 | CA9 (0.51) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL30454435 | 0.85 | CA9 (0.51) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL11905589 | 0.85 | CA9 (0.51) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL3098313 | 0.84 | KDM4E (0.49) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL4169938 | 0.81 | KDM4E (0.49) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL30453914 | 0.80 | CA1 (0.58) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL29396685 | 0.80 | CA1 (0.58) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL4182399 | 0.79 | KDM4E (0.66) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL4182396 | 0.77 | CA9 (0.52) | KDM4EALDH1A1HPGDHSD17B10MEN1 | |
| SCHEMBL17039828 | 0.76 | SIRT2 (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7977374-B2 | Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-07-12 | — | — | US | disclosed |