Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.38 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.31 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.31 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL18305950 | 0.86 | CHRM5 (0.39) | CA2CA12CA1CA9CHKA | |
| SCHEMBL5874622 | 0.84 | CA2 (0.41) | CA2CA12CA1CA9CHKA | |
| SCHEMBL4958163 | 0.82 | CA2 (0.39) | CA2CA12CA1CA9CHKA | |
| SCHEMBL2143739 | 0.81 | ALDH1A1 (0.44) | CA2CA12CA1CA9SIGMAR1 | |
| SCHEMBL106664 | 0.81 | USP2 (0.34) | CA2CA12CA1CA9CHKA | |
| SCHEMBL1083049 | 0.80 | CA2 (0.38) | CA2CA12CA1CA9CHKA | |
| SCHEMBL30598789 | 0.80 | CA2 (0.38) | CA2CA12CA1CA9CHKA | |
| SCHEMBL250579 | 0.80 | CA2 (0.38) | CA2CA12CA1CA9CHKA | |
| SCHEMBL28302693 | 0.80 | CA2 (0.38) | CA2CA12CA1CA9CHKA | |
| Water SCHEMBL23356455 | 0.78 | CA2 (0.37) | CA2CA12CA1CA9CHKA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115376647-A | Medicine usage amount recommendation method and device, electronic equipment and storage medium | 北京左医科技有限公司 | 2022-11-22 | — | — | CN | disclosed |
| EP-3464281-A1 | MUTANT IDH1 INHIBITORS | Eli Lilly and Company (US) | 2019-04-10 | — | — | EP | disclosed |
| WO-2017213910-A1 | MUTANT IDH1 INHIBITORS | ELI LILLY AND COMPANY (US) | 2017-12-14 | — | — | WO | disclosed |
| US-7128976-B2 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2006-10-31 | — | — | US | disclosed |
| US-20030091838-A1 | Composition for film formation, method of film formation, and silica-based film | JSR CORPORATION (JP) | 2003-05-15 | — | — | US | disclosed |
| US-4336182-A | FIREPROOFING THERMOPLASTIC RESINS | MONTEDISON S.P.A. (IT) | 1982-06-22 | — | — | US | disclosed |