Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 3/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | LATS1 | O95835 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL30489596 | 0.81 | TDP1 (0.36) | TDP1CTSKCA1CA2CA7 | |
| SCHEMBL7269811 | 0.79 | CTSK (0.40) | TDP1CTSKCTSSCA1CA2 | |
| SCHEMBL21261831 | 0.79 | TDP1 (0.42) | TDP1CTSKCA1CA2CA7 | |
| SCHEMBL4616898 | 0.77 | CA1 (0.42) | TDP1CTSKCTSSCA1CA2 | |
| SCHEMBL57379 | 0.77 | TDP1 (0.46) | TDP1CTSKCA1CA2CA7 | |
| SCHEMBL26103826 | 0.76 | TDP1 (0.42) | TDP1CTSKCA1CA2CA7 | |
| SCHEMBL25247785 | 0.75 | TDP1 (0.40) | TDP1CTSKCA1CA2CA7 | |
| SCHEMBL12775693 | 0.75 | POLB (0.43) | TDP1CTSKCA1CA2CA7 | |
| SCHEMBL16906203 | 0.75 | TDP1 (0.48) | TDP1CTSKCTSSCA1CA2 | |
| SCHEMBL30489694 | 0.75 | TDP1 (0.40) | TDP1CTSKCA1CA2CA7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1987037-A2 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007097470-A2 | FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-30 | — | — | WO | disclosed |