Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3158801 | 0.86 | USP2 (0.45) | ALDH1A1ABCB1USP2SMN1; SMN2HTT | |
| SCHEMBL18852406 | 0.85 | PIK3CD (0.58) | ALDH1A1ABCB1USP2SMN1; SMN2HTT | |
| SCHEMBL2529176 | 0.85 | ALDH1A1 (0.48) | ALDH1A1ABCB1USP2SMN1; SMN2HTT | |
| SCHEMBL2529177 | 0.85 | ALDH1A1 (0.48) | ALDH1A1ABCB1USP2SMN1; SMN2HTT | |
| SCHEMBL20232006 | 0.84 | USP2 (0.49) | ALDH1A1ABCB1USP2SMN1; SMN2HTT | |
| SCHEMBL16825817 | 0.84 | USP2 (0.49) | ALDH1A1ABCB1USP2SMN1; SMN2HTT | |
| SCHEMBL3720593 | 0.84 | ALDH1A1 (0.44) | ALDH1A1ABCB1USP2SMN1; SMN2HTT | |
| SCHEMBL27557042 | 0.84 | ALDH1A1 (0.44) | ALDH1A1ABCB1USP2SMN1; SMN2HTT | |
| SCHEMBL23497107 | 0.83 | USP2 (0.47) | ALDH1A1ABCB1USP2SMN1; SMN2HTT | |
| SCHEMBL30636043 | 0.83 | USP2 (0.47) | ALDH1A1ABCB1USP2SMN1; SMN2HTT |
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-2440519-A1 | ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS | Gilead Sciences, Inc. (US) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010144371-A1 | ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS | GILEAD COLORADO, INC. (US) | 2010-12-16 | — | — | WO | disclosed |