Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.45 |
| ▸ | CA2 | P00918 | 6/20 | 0.45 |
| ▸ | CA9 | Q16790 | 6/20 | 0.45 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MLYCD | O95822 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.35 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9462283 | 0.86 | CA12 (0.48) | CA12CA2CA9CA1TSHR | |
| SCHEMBL24203550 | 0.85 | CA12 (0.40) | CA12CA2CA9CA1TSHR | |
| SCHEMBL12044526 | 0.84 | CA1 (0.54) | CA12CA2CA9CA1MLYCD | |
| SCHEMBL17471264 | 0.82 | CA12 (0.48) | CA12CA2CA9CA1TSHR | |
| SCHEMBL13332903 | 0.82 | CA12 (0.44) | CA12CA2CA9CA1TSHR | |
| Hydrochloric Acid SCHEMBL27625595 | 0.81 | CA1 (0.52) | CA12CA2CA9CA1MLYCD | |
| SCHEMBL29210355 | 0.80 | CA12 (0.46) | CA12CA2CA9CA1TSHR | |
| SCHEMBL5208268 | 0.80 | CA12 (0.46) | CA12CA2CA9CA1TSHR | |
| SCHEMBL14818670 | 0.79 | ACE2 (0.37) | CA12CA2CA9CA1TSHR | |
| SCHEMBL5208263 | 0.78 | CA12 (0.45) | CA12CA2CA9CA1TSHR |
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-4006035-A1 | QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER | Neupharma, Inc. (US) | 2022-06-01 | — | — | EP | disclosed |