Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA6 | P23280 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | TPMT | P51580 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23958829 | 0.87 | NOTUM (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23958612 | 0.79 | MAOA (0.33) | — | |
| SCHEMBL23958597 | 0.77 | KMT2A (0.40) | CA12CA1CA2CA4CA6 | |
| SCHEMBL5223563 | 0.74 | TTR (0.43) | AURKATPX2CA12CA1CA2 | |
| SCHEMBL23958934 | 0.73 | CA12 (0.44) | CA12CA1CA2CA4CA6 | |
| SCHEMBL23958596 | 0.70 | MAPT (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10322100 | 0.69 | TPMT (0.45) | AURKATPX2CA12CA1CA2 | |
| SCHEMBL23958822 | 0.68 | KDM4E (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL417462 | 0.67 | RXRA (0.47) | AURKATPX2CA12CA1CA2 | |
| SCHEMBL23958613 | 0.67 | CA12 (0.43) | CA12CA1CA2CA4CA6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021214136-A1 | RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES | Janssen Sciences Ireland Unlimited Company (IE) | 2021-10-28 | — | — | WO | disclosed |