Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2837719 | 0.95 | KCNH2 (0.31) | KCNH2MCHR1 | |
| SCHEMBL3552292 | 0.90 | FAAH (0.31) | — | |
| SCHEMBL3308918 | 0.87 | MCHR1 (0.35) | ALDH1A1MAPTNPSR1KDM4EHPGD | |
| SCHEMBL3552360 | 0.84 | CTSS (0.31) | ALDH1A1MAPTNPSR1KDM4EHPGD | |
| SCHEMBL3546840 | 0.83 | CTSB (0.33) | — | |
| SCHEMBL2833502 | 0.83 | CTSS (0.32) | — | |
| SCHEMBL3314022 | 0.82 | ALDH1A1 (0.32) | ALDH1A1MAPTNPSR1KDM4ETSHR | |
| SCHEMBL995673 | 0.81 | CTSS (0.47) | — | |
| SCHEMBL3308959 | 0.80 | KCNH2 (0.36) | NPSR1KCNH2MCHR1 | |
| SCHEMBL3554588 | 0.80 | CTSB (0.41) | ALDH1A1MAPTNPSR1KDM4EHPGD |
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-1912981-B1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS | TIBOTEC PHARM LTD (IE) | 2010-01-20 | — | — | EP | disclosed |