Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM5A | P29375 | 4/20 | 0.34 |
| ▸ | PHF8 | Q9UPP1 | 4/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 4/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.34 |
| ▸ | KDM7A | Q6ZMT4 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | KDM4A | O75164 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25031523 | 0.93 | HDAC1 (0.37) | HDAC1HDAC2HDAC6ALDH1A1CA14 | |
| SCHEMBL6498594 | 0.89 | CA14 (0.34) | HDAC1HDAC2HDAC6CA14L3MBTL1 | |
| SCHEMBL31645036 | 0.88 | CA14 (0.33) | HDAC1HDAC2HDAC6ALDH1A1CA14 | |
| SCHEMBL25756042 | 0.86 | HDAC1 (0.32) | HDAC1HDAC2HDAC6ALDH1A1L3MBTL1 | |
| SCHEMBL25755991 | 0.86 | HDAC1 (0.32) | HDAC1HDAC2HDAC6ALDH1A1L3MBTL1 | |
| SCHEMBL25031556 | 0.86 | HDAC1 (0.32) | HDAC1HDAC2HDAC6ALDH1A1L3MBTL1 | |
| SCHEMBL6497822 | 0.84 | BTK (0.38) | HDAC1HDAC2HDAC6CA14KDM5A | |
| SCHEMBL4711748 | 0.84 | CA14 (0.39) | HDAC1HDAC2HDAC6CA14L3MBTL1 | |
| SCHEMBL6486048 | 0.83 | BTK (0.37) | L3MBTL1KDM5APHF8KDM2AKDM4C | |
| SCHEMBL2082167 | 0.83 | CA14 (0.35) | HDAC1HDAC2HDAC6CA14L3MBTL1 |
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-0559046-B1 | N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors | HOFFMANN LA ROCHE (CH) | 2001-07-11 | — | — | EP | disclosed |
| EP-0559046-A1 | N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors | F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) | 1993-09-08 | — | — | EP | disclosed |