Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.58 |
| ▸ | CA1 | P00915 | 5/20 | 0.53 |
| ▸ | CA2 | P00918 | 5/20 | 0.53 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19603054 | 0.84 | CYP3A4 (0.75) | CYP3A4CA1CA2MMP1MMP2 | |
| SCHEMBL14628032 | 0.82 | CYP3A4 (1.00) | CYP3A4CA1CA2MMP1MMP2 | |
| SCHEMBL15145875 | 0.81 | CYP3A4 (0.70) | CYP3A4SIGMAR1CA1CA2MMP1 | |
| SCHEMBL8970754 | 0.81 | ALDH1A1 (0.70) | CYP3A4CA1CA2MMP1MMP2 | |
| SCHEMBL16093341 | 0.81 | CYP3A4 (0.70) | CYP3A4CA1CA2CA12CA9 | |
| SCHEMBL1460880 | 0.81 | CYP3A4 (0.70) | CYP3A4CA2CA12CA9ALDH1A1 | |
| SCHEMBL66632 | 0.81 | CYP3A4 (0.70) | CYP3A4CA1CA2MMP1MMP2 | |
| SCHEMBL5099645 | 0.81 | ALDH1A1 (0.64) | CYP3A4SIGMAR1CA1CA2MMP1 | |
| SCHEMBL6599234 | 0.81 | CA1 (0.68) | SIGMAR1CA1CA2MMP1MMP2 | |
| Hydrochloric Acid SCHEMBL28522062 | 0.81 | CYP3A4 (0.96) | CYP3A4CA1CA2MMP1MMP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2164833-B1 | Quinazolinamide derivatives useful for the treatment of tumour diseases | MERCK PATENT GMBH (DE) | 2015-04-15 | — | — | EP | disclosed |