Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 2/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3406057 | 0.86 | HDAC3 (0.39) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL21257785 | 0.84 | ALDH1A1 (0.38) | HDAC3HDAC1HDAC2NCOR2KDM4E | |
| SCHEMBL18322690 | 0.84 | ALDH1A1 (0.40) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL3402058 | 0.83 | SLC6A4 (0.37) | HDAC3HDAC1HDAC2NCOR2KEAP1 | |
| SCHEMBL2834319 | 0.82 | HDAC3 (0.55) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL21257736 | 0.82 | HDAC3 (0.35) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL12330698 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL27829838 | 0.81 | HDAC3 (0.37) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL7211228 | 0.80 | FDPS (0.37) | HDAC3HDAC1HDAC2NCOR2KDM4E | |
| SCHEMBL2061803 | 0.80 | SLC6A4 (0.43) | HDAC3HDAC1HDAC2NCOR2CTSL |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108112251-B | NRF2 modulators | 葛兰素史克知识产权发展有限公司 | 2021-03-05 | — | — | CN | disclosed |
| EP-0789571-A4 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO INC (US) | 1999-04-14 | — | — | EP | disclosed |
| EP-0789571-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | Merck & Co., Inc. (US) | 1997-08-20 | — | — | EP | disclosed |