Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 8/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 5/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4898993 | 0.87 | MEN1 (0.37) | CA2CA1CA7CTSKMAOA | |
| SCHEMBL11187682 | 0.82 | TDP1 (0.40) | CA2CA1CA7CTSKMAOA | |
| SCHEMBL27546163 | 0.82 | TDP1 (0.40) | CA2CA1CA7CTSKMAOA | |
| SCHEMBL29822881 | 0.79 | CTSK (0.46) | CA2CA1CA7CTSKMAOA | |
| SCHEMBL31525047 | 0.79 | CTSK (0.46) | CA2CA1CA7CTSKCA12 | |
| SCHEMBL7163456 | 0.79 | CTSK (0.46) | CA2CA1CA7CTSKCA12 | |
| SCHEMBL29808921 | 0.78 | CA1 (0.36) | CA2CA1CA7CTSKMAOA | |
| SCHEMBL6387799 | 0.77 | CA1 (0.39) | CA2CA1CA7CTSKMAOA | |
| SCHEMBL6739529 | 0.77 | CTSK (0.40) | CA2CA1CA7CTSKMAOA | |
| SCHEMBL5967148 | 0.77 | SLC15A1 (0.58) | CTSKCTSS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008135526-A1 | CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-11-13 | — | — | WO | disclosed |