Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.50 |
| ▸ | CA1 | P00915 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10723225 | 0.88 | KDM4E (0.64) | CA1KDM4EALDH1A1CYP1A2POLB | |
| SCHEMBL10723235 | 0.88 | KDM4E (0.64) | CA1KDM4EALDH1A1CYP1A2POLB | |
| SCHEMBL21581874 | 0.86 | KDM4E (0.51) | CA2CA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7270148 | 0.83 | KDM4E (0.48) | KDM4EALDH1A1CYP1A2POLBCYP3A4 | |
| SCHEMBL2836400 | 0.83 | GAA (0.50) | ALDH1A1CYP1A2CYP3A4MAPTLMNA | |
| SCHEMBL2573120 | 0.81 | BLM (0.50) | CA1KDM4EALDH1A1CYP1A2POLB | |
| SCHEMBL2982712 | 0.81 | BLM (0.50) | CA1KDM4EALDH1A1CYP1A2POLB | |
| SCHEMBL27611041 | 0.79 | CA2 (0.42) | CA2CA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL6107394 | 0.79 | KDM4E (0.43) | CA1KDM4EALDH1A1CYP1A2POLB | |
| SCHEMBL6107393 | 0.79 | KDM4E (0.43) | CA1KDM4EALDH1A1CYP1A2POLB |
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-2802591-B1 | MACROCYCLIC AMIDES AS PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2016-03-16 | — | — | EP | disclosed |