Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 12/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 4/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2488917 | 1.00 | TDP1 (0.56) | TDP1CA1CA2CA7CTSK | |
| SCHEMBL12493912 | 0.98 | TDP1 (0.53) | TDP1CA1CA2CA7CTSK | |
| SCHEMBL12493914 | 0.98 | TDP1 (0.53) | TDP1CA1CA2CA7CTSK | |
| SCHEMBL24687980 | 0.93 | TDP1 (0.50) | TDP1CA1CA2CA7CTSK | |
| SCHEMBL31059571 | 0.93 | TDP1 (0.50) | TDP1CA1CA2CA7CTSK | |
| SCHEMBL361540 | 0.93 | TDP1 (0.50) | TDP1CA1CA2CA7CTSK | |
| SCHEMBL30464946 | 0.87 | CTSK (0.55) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL4781261 | 0.87 | CTSK (0.55) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL28599705 | 0.87 | CTSK (0.55) | CA1CA2CA7CTSKCTSS | |
| SCHEMBL2388142 | 0.86 | CA1 (0.51) | TDP1CA1CA2CA7CTSK |
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-2005009966-A1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | PFIZER LIMITED (GB) | 2005-02-03 | — | — | WO | disclosed |