Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1705485 | 0.77 | NPC1 (0.40) | NPC1RAB9AKMT2AGLAALDH1A1 | |
| SCHEMBL1706499 | 0.66 | ALOX15 (0.39) | ALDH1A1ALOX15 | |
| Methylpyrrolidone SCHEMBL27768356 | 0.65 | BRD4 (0.49) | NPC1RAB9AKMT2AGLAHTT | |
| SCHEMBL6988822 | 0.65 | HTR1F (0.41) | NPC1RAB9AKMT2AGLAHTT | |
| SCHEMBL12436096 | 0.65 | BRD4 (0.42) | KMT2ASMN1; SMN2BRD4 | |
| SCHEMBL98748 | 0.65 | — | — | |
| SCHEMBL1765877 | 0.64 | — | — | |
| SCHEMBL4083095 | 0.63 | — | — | |
| Bromide SCHEMBL28245258 | 0.63 | — | — | |
| Ammonia Solution, Strong SCHEMBL27514119 | 0.63 | — | — |
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 | claimed |
| WO-2010144371-A1 | ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS | GILEAD COLORADO, INC. (US) | 2010-12-16 | — | — | WO | claimed |