Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | METAP2 | P50579 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 2/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22102561 | 1.00 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7270589 | 0.97 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29660347 | 0.85 | L3MBTL1 (0.47) | MEN1KMT2AMAPTALDH1A1LMNA | |
| SCHEMBL22102558 | 0.85 | L3MBTL1 (0.47) | MEN1KMT2AMAPTALDH1A1LMNA | |
| SCHEMBL11722874 | 0.82 | MAPT (0.49) | METAP2MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL7675302 | 0.82 | MEN1 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7270717 | 0.80 | MAPT (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22089616 | 0.80 | KMT2A (0.48) | MEN1KMT2AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL29660430 | 0.77 | MAPT (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22089558 | 0.77 | IDO1 (0.48) | MEN1KMT2AMAPTALDH1A1LMNA |
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-113195492-B | Novel compound with three-fused ring structure, preparation method and application thereof | 信达生物制药(苏州)有限公司 | 2022-07-08 | — | — | CN | disclosed |