Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 13/20 | 0.50 |
| ▸ | CA2 | P00918 | 13/20 | 0.50 |
| ▸ | CA9 | Q16790 | 13/20 | 0.50 |
| ▸ | MRGPRX1 | Q96LB2 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 7/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28265870 | 0.92 | MRGPRX1 (0.53) | CA1CA2CA9MRGPRX1CA12 | |
| SCHEMBL15757936 | 0.87 | CA2 (0.51) | CA1CA2CA9MRGPRX1CA12 | |
| SCHEMBL15757684 | 0.86 | AGPAT2 (0.53) | CA1CA2CA9MRGPRX1CA12 | |
| SCHEMBL28267613 | 0.83 | CA1 (0.49) | CA1CA2CA9MRGPRX1CA12 | |
| SCHEMBL28151129 | 0.83 | ALDH1A1 (0.48) | CA1CA2CA9MRGPRX1CA12 | |
| SCHEMBL17315292 | 0.83 | CA1 (0.53) | CA1CA2CA9MRGPRX1CA12 | |
| SCHEMBL17315399 | 0.82 | CA1 (0.52) | CA1CA2CA9MRGPRX1CA12 | |
| SCHEMBL28267166 | 0.82 | CA1 (0.49) | CA1CA2CA9MRGPRX1CA12 | |
| SCHEMBL15757847 | 0.81 | CA1 (0.51) | CA1CA2CA9MRGPRX1CA12 | |
| SCHEMBL28043953 | 0.81 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |