Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28784544 | 0.93 | CTSK (0.43) | CTSKHDAC3CYP2C9HDAC4HDAC1 | |
| SCHEMBL9930794 | 0.91 | ROCK2 (0.53) | CTSKCYP2C9CYP17A1ROCK2RPS6KA5 | |
| SCHEMBL9930795 | 0.91 | ROCK2 (0.53) | CTSKCYP2C9CYP17A1ROCK2RPS6KA5 | |
| SCHEMBL8216304 | 0.91 | ROCK2 (0.53) | CTSKCYP2C9CYP17A1ROCK2RPS6KA5 | |
| SCHEMBL30895333 | 0.84 | ROCK2 (0.59) | CYP17A1KMT2AALDH1A1L3MBTL1ROCK2 | |
| SCHEMBL13229732 | 0.84 | ROCK2 (0.59) | CYP17A1KMT2AALDH1A1L3MBTL1ROCK2 | |
| SCHEMBL12203593 | 0.83 | CTSK (0.62) | CTSKKMT2AALDH1A1MEN1HSD17B10 | |
| SCHEMBL6346032 | 0.83 | CTSK (0.62) | CTSKKMT2AALDH1A1MEN1HSD17B10 | |
| SCHEMBL6346030 | 0.83 | CTSK (0.62) | CTSKKMT2AALDH1A1MEN1HSD17B10 | |
| SCHEMBL28844112 | 0.83 | ALDH1A1 (0.51) | HDAC3CYP2C9HDAC4HDAC1HDAC7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0674623-B1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2003-04-09 | — | — | EP | disclosed |
| US-6403578-B1 | ANTICOAGULANTS, CARDIOVASCULAR DISORDERS | SMITHKLINE BEECHAM CORPORATION | 2002-06-11 | — | — | US | disclosed |
| EP-0701568-A1 | NEW PEPTIDE DERIVATIVES | Astra Aktiebolag (SE) | 1996-03-20 | — | — | EP | disclosed |
| EP-0674623-A1 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014776-A2 | BICYCLIC FIBRINOGEN ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-07-07 | — | — | WO | disclosed |