Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.39 |
| ▸ | CA1 | P00915 | 9/20 | 0.39 |
| ▸ | CA9 | Q16790 | 9/20 | 0.39 |
| ▸ | CA7 | P43166 | 5/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.39 |
| ▸ | CA5A | P35218 | 4/20 | 0.39 |
| ▸ | CA6 | P23280 | 3/20 | 0.39 |
| ▸ | CA4 | P22748 | 3/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | PTGES2 | Q9H7Z7 | 3/20 | 0.34 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL11146290 | 0.75 | CA2 (0.50) | CA2CA1CA9CA7CA12 | |
| SCHEMBL11336944 | 0.75 | CA2 (0.62) | CA2CA1CA9CA7CA12 | |
| SCHEMBL76930 | 0.74 | CA2 (0.42) | CA2CA1CA9CA7CA12 | |
| SCHEMBL11332586 | 0.72 | CA2 (0.50) | CA2CA1CA9CA7CA12 | |
| SCHEMBL7813681 | 0.72 | CA1 (0.47) | CA2CA1CA9CA7CA12 | |
| SCHEMBL10867559 | 0.72 | CA2 (0.52) | CA2CA1CA9CA7CA12 | |
| SCHEMBL21491104 | 0.71 | PSIP1 (0.32) | CA2CA1CA9CA5A | |
| SCHEMBL159759 | 0.71 | PSIP1 (0.46) | CA2CA1CA9CA5A | |
| SCHEMBL8349565 | 0.70 | CA2 (0.54) | CA2CA1CA9CA7CA12 | |
| SCHEMBL7709103 | 0.70 | CA1 (0.32) | CA2CA1CA9CA5A |
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-1603572-A4 | LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-06-25 | — | — | EP | disclosed |
| EP-1603572-A1 | LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004082687-A1 | LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |