Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 4/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ELOVL6 | Q9H5J4 | 5/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27999953 | 0.84 | CA12 (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9727592 | 0.80 | HTR2A (0.49) | ALDH1A1MAPTMMP13ELOVL6MMP8 | |
| SCHEMBL19454668 | 0.68 | CA12 (0.53) | CA12CA1CA2CA9CA4 | |
| Hypochlorous Acid SCHEMBL5859040 | 0.67 | CA2 (0.87) | CA12CA1CA2CA9CA4 | |
| SCHEMBL28347321 | 0.67 | CA1 (0.64) | CA12CA1CA2CA9CA4 | |
| SCHEMBL4640918 | 0.66 | ALDH1A1 (0.79) | CA12CA1CA2CA9CA4 | |
| SCHEMBL31713765 | 0.65 | ALDH1A1 (0.46) | ALDH1A1MAPTMMP13ADAM17MMP8 | |
| SCHEMBL2149410 | 0.65 | TSHR (0.52) | CA12CA1CA2CA9CA4 | |
| Hydrochloric Acid SCHEMBL5142727 | 0.64 | ALDH1A1 (0.76) | CA12CA1CA2CA9CA4 | |
| SCHEMBL1144444 | 0.64 | CA2 (1.00) | CA12CA1CA2CA9CA4 |
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-105829285-A | Quinazolinone and isoquinolinone derivatives | 中外制药株式会社 | 2016-08-03 | — | — | CN | disclosed |