Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 14/20 | 0.38 |
| ▸ | CA2 | P00918 | 14/20 | 0.38 |
| ▸ | CA9 | Q16790 | 12/20 | 0.38 |
| ▸ | CA12 | O43570 | 11/20 | 0.38 |
| ▸ | CA4 | P22748 | 5/20 | 0.38 |
| ▸ | CA6 | P23280 | 4/20 | 0.38 |
| ▸ | CA5A | P35218 | 4/20 | 0.38 |
| ▸ | CA7 | P43166 | 4/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.38 |
| ▸ | CA3 | P07451 | 3/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8408244 | 1.00 | CA1 (0.38) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8404547 | 0.89 | CA1 (0.42) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8408247 | 0.87 | KDM4E (0.42) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8404543 | 0.86 | L3MBTL1 (0.37) | LMNAPOLBL3MBTL1ALDH1A1 | |
| SCHEMBL8404549 | 0.86 | L3MBTL1 (0.37) | LMNAPOLBL3MBTL1ALDH1A1 | |
| SCHEMBL8404552 | 0.81 | SOS1 (0.39) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8404555 | 0.81 | SOS1 (0.39) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8408242 | 0.79 | KDM1A (0.40) | CA1CA2CA9CA12CA4 | |
| SCHEMBL8404542 | 0.79 | KDM1A (0.40) | CA1CA2CA9CA12CA4 | |
| SCHEMBL10178168 | 0.76 | CA2 (0.50) | CA1CA2CA9CA12CA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |