Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | TPMT | P51580 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 3/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23958934 | 0.77 | CA12 (0.44) | CA12CA1CA2CA4CA6 | |
| SCHEMBL10337638 | 0.74 | CA12 (0.67) | CA12CA1CA2CA4CA6 | |
| SCHEMBL23958597 | 0.74 | KMT2A (0.40) | CA12CA1CA2CA4CA6 | |
| SCHEMBL21723570 | 0.70 | CA12 (0.60) | CA12CA1CA2CA4CA6 | |
| SCHEMBL23958596 | 0.70 | MAPT (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23958843 | 0.69 | ALDH1A1 (0.33) | KMT2AHTTALDH1A1HPGD | |
| SCHEMBL5069164 | 0.69 | CA12 (0.58) | CA12CA1CA2CA4CA6 | |
| SCHEMBL22458580 | 0.69 | CA12 (0.58) | CA12CA1CA2CA4CA6 | |
| SCHEMBL18009390 | 0.67 | CA12 (0.56) | CA12CA1CA2CA4CA6 | |
| SCHEMBL1675754 | 0.67 | HTT (0.59) | 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 |