Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | RGS12 | O14924 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL27802429 | 1.00 | AKR1B1 (0.48) | AKR1B1GAATSHRNFKB1TDP1 | |
| SCHEMBL30345495 | 0.91 | MAOB (0.44) | LMNAKDM4ECYP2C19CA2ALDH1A1 | |
| SCHEMBL27691968 | 0.84 | EGFR (0.46) | TSHRLMNAKDM4ECYP2C19ALDH1A1 | |
| SCHEMBL27936150 | 0.84 | AKR1B1 (0.50) | AKR1B1GAATSHRNFKB1TDP1 | |
| SCHEMBL845174 | 0.83 | AKR1B1 (0.48) | AKR1B1GAATSHRNFKB1TDP1 | |
| SCHEMBL3114737 | 0.82 | AKR1B1 (0.56) | AKR1B1GAATSHRNFKB1TDP1 | |
| Hydrochloric Acid SCHEMBL27864806 | 0.81 | ENPP2 (0.43) | TSHRNFKB1TDP1LMNAAPEX1 | |
| SCHEMBL70565 | 0.81 | AKR1B1 (0.71) | AKR1B1GAATSHRNFKB1TDP1 | |
| SCHEMBL29018928 | 0.79 | AOC3 (0.51) | — | |
| SCHEMBL27556620 | 0.79 | HCAR2 (0.59) | MAPTALDH1A1 |
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-101663284-A | Macrocyclic compounds as hcv ns3 protease inhibitors | NOVARTIS AG | 2010-03-03 | — | — | CN | disclosed |