Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MDM4 | O15151 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13330263 | 0.87 | PTPRB (0.40) | HDAC1HDAC6SIGMAR1CA12CA7 | |
| SCHEMBL929646 | 0.87 | PTPRB (0.40) | HDAC1HDAC6SIGMAR1CA12CA7 | |
| SCHEMBL14285091 | 0.82 | CA12 (0.52) | CA12CA7CA9CA14CA2 | |
| SCHEMBL12226563 | 0.77 | ATM (0.47) | HDAC1HDAC6CA12CA7CA9 | |
| SCHEMBL14099736 | 0.76 | LNPEP (0.42) | HDAC1HDAC6CA12CA7CA9 | |
| SCHEMBL12226761 | 0.76 | CA12 (0.52) | HDAC1HDAC6CA12CA7CA9 | |
| SCHEMBL10231021 | 0.74 | ALDH1A1 (0.47) | HDAC1HDAC6CA12CA7CA9 | |
| SCHEMBL16472042 | 0.74 | ATM (0.46) | HDAC1HDAC6CA12CA7CA9 | |
| SCHEMBL352625 | 0.74 | MMP8 (0.47) | CA12CA7CA9CA14CA2 | |
| SCHEMBL352624 | 0.74 | MMP8 (0.47) | CA12CA7CA9CA14CA2 |
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-1646659-A2 | IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | Neurochem (International) Limited (CH) | 2006-04-19 | — | — | EP | disclosed |
| WO-2004113391-A2 | IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2004-12-29 | — | — | WO | disclosed |