Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KAT6A | Q92794 | 1/20 | 0.53 |
| ▸ | PTGES2 | Q9H7Z7 | 4/20 | 0.52 |
| ▸ | BRAF | P15056 | 2/20 | 0.48 |
| ▸ | TNNI3K | Q59H18 | 2/20 | 0.48 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | C1S | P09871 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28022794 | 0.82 | NR1H2 (0.52) | KAT6AC1SAKR1C3CYP2A6 | |
| SCHEMBL28022358 | 0.82 | CA12 (0.56) | L3MBTL1VCAM1CYP2A6CA12CA1 | |
| SCHEMBL10154333 | 0.80 | L3MBTL1 (0.55) | KAT6APTGES2BRAFTNNI3KL3MBTL1 | |
| SCHEMBL10781024 | 0.79 | VCAM1 (0.53) | PTGES2TNNI3KL3MBTL1VCAM1CYP2A6 | |
| SCHEMBL308891 | 0.79 | KAT6A (0.53) | KAT6APTGES2C1SAKR1C3CYP2A6 | |
| SCHEMBL16574193 | 0.78 | PKM (0.51) | PTGES2BRAFTNNI3KCREBBPCA12 | |
| SCHEMBL2242660 | 0.75 | L3MBTL1 (0.61) | TNNI3KL3MBTL1CA12CA1CA2 | |
| SCHEMBL2371349 | 0.74 | LMNA (0.61) | TNNI3KL3MBTL1CA12CA1CA2 | |
| SCHEMBL9479255 | 0.73 | CYP2A6 (0.71) | KAT6ACYP2A6LMNA | |
| SCHEMBL29628996 | 0.73 | CYP2A6 (0.71) | KAT6ACYP2A6LMNA |
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-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | disclosed |