Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6073938 | 0.86 | LMNA (0.45) | ALDH1A1TDP1CYP3A4TSHRKMT2A | |
| SCHEMBL7437216 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TDP1L3MBTL1MAPK1KMT2A | |
| SCHEMBL5730704 | 0.75 | MIF (0.53) | ALDH1A1TDP1KMT2AMEN1NPC1 | |
| SCHEMBL6945581 | 0.75 | LMNA (0.44) | ALDH1A1TDP1NPC1RAB9ALMNA | |
| SCHEMBL7302361 | 0.74 | SLC1A3 (0.42) | ALDH1A1TSHRKMT2AMEN1NPC1 | |
| SCHEMBL7330962 | 0.74 | MGLL (0.42) | ALDH1A1TSHRKMT2AMEN1NPC1 | |
| SCHEMBL14161303 | 0.72 | MAPT (0.54) | ALDH1A1TDP1L3MBTL1KMT2ANPC1 | |
| SCHEMBL7336448 | 0.72 | ATM (0.52) | ALDH1A1L3MBTL1MAPK1KMT2AMEN1 | |
| SCHEMBL7333168 | 0.72 | CTSK (0.59) | ALDH1A1CTRB1CTSK | |
| SCHEMBL30656002 | 0.72 | CTSB (0.55) | KMT2AMEN1LMNAATMCA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1523483-A4 | AMINO-BICYCLIC PYRAZINONES AND PYRIDINONES AS COAGULATION SERINE PROTEASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2006-03-08 | — | — | EP | disclosed |
| EP-1523483-A2 | AMINO-BICYCLIC PYRAZINONES AND PYRIDINONES AS COAGULATION SERINE PROTEASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-04-20 | — | — | EP | disclosed |
| WO-2004002405-A2 | AMINO-BICYCLIC PYRAZINONES AND PYRIDINONES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-01-08 | — | — | WO | disclosed |