Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28896569 | 0.75 | CA12 (0.32) | CA12CA1CA2CA9 | |
| SCHEMBL28896243 | 0.72 | CA12 (0.32) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL21530683 | 0.72 | KMT2A (0.39) | SMN1; SMN2CA12CA1CA2CA9 | |
| SCHEMBL28896379 | 0.70 | KDM4E (0.32) | KDM4ENPSR1 | |
| SCHEMBL29211242 | 0.70 | AAK1 (0.38) | POLBKDM4EKMT2ANPSR1 | |
| SCHEMBL28896332 | 0.69 | CA12 (0.35) | CA12CA1CA2CA9POLB | |
| SCHEMBL28896565 | 0.69 | CA12 (0.31) | CA12CA1CA2CA9 | |
| SCHEMBL28896615 | 0.69 | CA12 (0.31) | CA12CA1CA2CA9 | |
| SCHEMBL28896381 | 0.69 | KDM4E (0.33) | KDM4ENPSR1 | |
| SCHEMBL28896539 | 0.69 | CA12 (0.30) | CA12CA1CA2CA9 |
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-115403584-A | 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-11-29 | — | — | CN | disclosed |