Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL636314 | 0.87 | ALDH1A1 (0.52) | LMNAHTR6CYP3A4ALDH1A1MAPK1 | |
| SCHEMBL6006737 | 0.87 | ALDH1A1 (0.52) | LMNAHTR6CYP3A4ALDH1A1MAPK1 | |
| SCHEMBL8978700 | 0.87 | CA2 (0.62) | CA2PLCG1MMP2CA12CA9 | |
| SCHEMBL2122562 | 0.87 | CA2 (0.62) | CA2PLCG1MMP2CA12CA9 | |
| SCHEMBL18187419 | 0.87 | CA2 (0.62) | CA2PLCG1MMP2CA12CA9 | |
| SCHEMBL250285 | 0.87 | CA2 (0.62) | CA2PLCG1MMP2CA12CA9 | |
| SCHEMBL16449509 | 0.81 | CA2 (0.50) | CA2PLCG1MMP2CA12CA9 | |
| SCHEMBL9356008 | 0.80 | CA2 (0.67) | CA2PLCG1MMP2CA12CA9 | |
| SCHEMBL28020290 | 0.80 | CA2 (0.54) | CA2PLCG1MMP2CA12CA9 | |
| SCHEMBL5527319 | 0.80 | CA2 (0.67) | CA2PLCG1MMP2CA12CA9 |
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-2964635-B1 | ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2018-05-02 | — | — | EP | disclosed |