Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 14/20 | 0.55 |
| ▸ | CA2 | P00918 | 14/20 | 0.55 |
| ▸ | CA9 | Q16790 | 13/20 | 0.55 |
| ▸ | CA12 | O43570 | 4/20 | 0.49 |
| ▸ | VCP | P55072 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28043938 | 0.91 | PTGS2 (0.54) | PTGS2 | |
| SCHEMBL28151132 | 0.89 | CA1 (0.56) | CA1CA2CA9CA12CA7 | |
| SCHEMBL28151083 | 0.85 | CA1 (0.49) | CA1CA2CA9CA12CA7 | |
| SCHEMBL28151194 | 0.81 | NPC1 (0.49) | NPC1RAB9A | |
| SCHEMBL28152159 | 0.81 | HRH4 (0.47) | CA1CA2CA9CA12CA7 | |
| SCHEMBL15757405 | 0.80 | NUDT1 (0.57) | CA1CA2CA9CA12VCP | |
| SCHEMBL28265645 | 0.80 | TLR8 (0.44) | CA1CA2CA9CA12CA7 | |
| SCHEMBL28267163 | 0.80 | PTGDR (0.48) | CA1CA2CA9PTGS2 | |
| SCHEMBL28151081 | 0.78 | HRH4 (0.44) | CA1CA2CA9CA12CA7 | |
| SCHEMBL28845276 | 0.76 | HRH4 (0.43) | CA1CA2CA9CA12CA7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105143206-B | Pyrimidine -2,4- diamine derivative for treating cancer | 托马斯·黑勒戴药物研究基金会 | 2019-01-15 | — | — | CN | disclosed |
| CN-106794181-A | MTH1 inhibitors for the treatment of inflammatory and autoimmune conditions | 托马斯·黑勒戴药物研究基金会 | 2017-05-31 | — | — | CN | disclosed |