Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 6/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | PREP | P48147 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL890057 | 0.83 | POLB (0.30) | CA12CA14 | |
| SCHEMBL14276786 | 0.78 | TDP1 (0.39) | CA1CA2CA7CTSKCA12 | |
| SCHEMBL16391154 | 0.77 | TDP1 (0.42) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL16391151 | 0.77 | TDP1 (0.42) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL15113634 | 0.77 | CA1 (0.41) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL17712226 | 0.76 | CA1 (0.40) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL7922248 | 0.76 | PIK3CD (0.47) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL76832 | 0.76 | KDM4C (0.41) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL9304597 | 0.74 | APLNR (0.38) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL21834933 | 0.74 | KDM4C (0.39) | CA1CA2CA7CTSKCTSS |
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-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |