Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19008049 | 0.84 | NOS1 (0.38) | CA1CA2CA7NOS1NOS3 | |
| SCHEMBL2687921 | 0.84 | NOS1 (0.38) | CA1CA2CA7NOS1NOS3 | |
| Water SCHEMBL27959235 | 0.82 | NOS1 (0.37) | CA1CA2CA7NOS1NOS3 | |
| SCHEMBL7277806 | 0.79 | CYP2D6 (0.32) | CA1CA2CA7HDAC1HDAC2 | |
| SCHEMBL21114362 | 0.79 | GABRR1 (0.39) | — | |
| SCHEMBL6950879 | 0.78 | CYP3A4 (0.37) | CA1CA2CA7NOS1NOS3 | |
| SCHEMBL6954465 | 0.78 | CYP3A4 (0.37) | CA1CA2CA7NOS1NOS3 | |
| SCHEMBL1926084 | 0.78 | CYP3A4 (0.37) | CA1CA2CA7NOS1NOS3 | |
| SCHEMBL29444989 | 0.75 | ELANE (0.33) | CA1CA2CA7HDAC1HDAC2 | |
| Ethylenediamine SCHEMBL28140303 | 0.74 | HDAC6 (0.36) | CA1CA2CA7HDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101137650-A | 2- [ isoquinoline-S-carbonyl ] amino ] -propionic acid derivatives as inhibitors of factors XI and IX for the treatment of thrombosis | TRANSTECH PHARMA INC (US) | 2008-03-05 | — | — | CN | disclosed |