Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8682205 | 1.00 | MAPK1 (0.50) | MAPK1KDM4EL3MBTL1CA12CA1 | |
| SCHEMBL15835801 | 0.88 | MAPK1 (0.47) | MAPK1KDM4EL3MBTL1MAPTGABRA5 | |
| SCHEMBL8545215 | 0.85 | MAPT (0.46) | L3MBTL1MAPTGABRA5ALDH1A1 | |
| SCHEMBL20483548 | 0.82 | HDAC6 (0.38) | L3MBTL1 | |
| SCHEMBL1439028 | 0.82 | MAPK1 (0.59) | MAPK1KDM4EL3MBTL1CA12CA1 | |
| SCHEMBL1313112 | 0.81 | LOXL2 (0.51) | MAPK1KDM4EL3MBTL1CA12CA1 | |
| SCHEMBL8681688 | 0.81 | NPC1 (0.38) | ALDH1A1RAB9AKMT2AGAANPC1 | |
| SCHEMBL30746942 | 0.80 | MAPK1 (0.46) | MAPK1KDM4EL3MBTL1CA1CA2 | |
| SCHEMBL9521091 | 0.80 | GABRA5 (0.36) | KDM4EL3MBTL1GABRA5ALDH1A1KMT2A | |
| SCHEMBL507626 | 0.80 | HRH3 (0.34) | ALDH1A1 |
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-114302886-B | Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2024-03-22 | — | — | CN | disclosed |