Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3467346 | 0.85 | HSD17B1 (0.47) | ALDH1A1CYP3A4TDP1TSHRHDAC1 | |
| SCHEMBL12230849 | 0.82 | PGR (0.47) | ALDH1A1CYP3A4HDAC1HDAC2HDAC3 | |
| SCHEMBL11896432 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TDP1TSHRHDAC1 | |
| SCHEMBL15624533 | 0.81 | CYP3A4 (0.55) | ALDH1A1CYP3A4TDP1TSHRHDAC1 | |
| SCHEMBL278994 | 0.80 | HDAC1 (0.45) | ALDH1A1CYP3A4TDP1TSHRHDAC1 | |
| SCHEMBL2754852 | 0.79 | HDAC1 (0.47) | ALDH1A1CYP3A4TDP1TSHRHDAC1 | |
| SCHEMBL14899401 | 0.77 | HSD17B1 (0.65) | CYP3A4TDP1PGRMAPTHSD17B1 | |
| Orthotolidine SCHEMBL29386552 | 0.76 | CYP3A4 (1.00) | ALDH1A1CYP3A4TDP1TSHRNPC1 | |
| Orthotolidine SCHEMBL49414 | 0.76 | CYP3A4 (1.00) | ALDH1A1CYP3A4TDP1TSHRNPC1 | |
| Orthotolidine SCHEMBL29365329 | 0.76 | CYP3A4 (1.00) | ALDH1A1CYP3A4TDP1TSHRNPC1 |
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-2440517-B1 | CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS | GILEAD SCIENCES INC (US) | 2014-03-26 | — | — | EP | disclosed |
| US-8431610-B2 | Alkanoylamino benzamide aniline HDAC inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2013-04-30 | — | — | US | disclosed |