Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 9/20 | 0.61 |
| ▸ | CA1 | P00915 | 8/20 | 0.61 |
| ▸ | CA9 | Q16790 | 7/20 | 0.61 |
| ▸ | CA12 | O43570 | 6/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.61 |
| ▸ | CA7 | P43166 | 4/20 | 0.61 |
| ▸ | CA3 | P07451 | 3/20 | 0.61 |
| ▸ | CA4 | P22748 | 3/20 | 0.61 |
| ▸ | CA6 | P23280 | 3/20 | 0.61 |
| ▸ | CA5A | P35218 | 3/20 | 0.61 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.61 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.61 |
| ▸ | MMP1 | P03956 | 1/20 | 0.55 |
| ▸ | MMP2 | P08253 | 1/20 | 0.55 |
| ▸ | MMP9 | P14780 | 1/20 | 0.55 |
| ▸ | MMP8 | P22894 | 1/20 | 0.55 |
| ▸ | MMP13 | P45452 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2820495 | 0.92 | ALDH1A1 (0.58) | CA2CA1CA9CA12CA14 | |
| SCHEMBL17645102 | 0.82 | CA2 (0.57) | CA2CA1CA9CA12CA14 | |
| SCHEMBL486719 | 0.82 | CA2 (0.57) | CA2CA1CA9CA12CA14 | |
| SCHEMBL1498131 | 0.81 | CA2 (0.61) | CA2CA1CA9CA12CA14 | |
| SCHEMBL29507353 | 0.80 | CA2 (0.67) | CA2CA1CA9CA12CA14 | |
| SCHEMBL3158508 | 0.80 | CA2 (0.67) | CA2CA1CA9CA12CA14 | |
| SCHEMBL11855965 | 0.80 | CA2 (0.67) | CA2CA1CA9CA12CA14 | |
| SCHEMBL11419996 | 0.80 | CA2 (0.67) | CA2CA1CA9CA12CA14 | |
| SCHEMBL22567 | 0.79 | ALDH1A1 (0.72) | CA2CA1CA9CA12CA14 | |
| SCHEMBL27909482 | 0.79 | ALDH1A1 (0.72) | CA2CA1CA9CA12CA14 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1861378-A1 | N-ARYL-SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006099974-A1 | N-ARYL-SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2006-09-28 | — | — | WO | disclosed |