Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SQLE | Q14534 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12584609 | 0.83 | SMN1; SMN2 (0.55) | ALDH1A1HPGDSMN1; SMN2NR1H3HSD17B10 | |
| SCHEMBL8282345 | 0.83 | SMN1; SMN2 (0.55) | ALDH1A1HPGDSMN1; SMN2NR1H3HSD17B10 | |
| SCHEMBL13272627 | 0.82 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2MAPTNR1H3 | |
| SCHEMBL5282738 | 0.81 | ALDH1A1 (0.61) | ALDH1A1HPGDSMN1; SMN2MAPTHSD17B10 | |
| SCHEMBL13251318 | 0.80 | ALDH1A1 (0.44) | ALDH1A1HPGDSMN1; SMN2MAPTNR1H3 | |
| SCHEMBL12077803 | 0.70 | ALDH1A1 (0.68) | ALDH1A1HPGDSMN1; SMN2MAPTNR1H3 | |
| SCHEMBL6922429 | 0.69 | NR1H3 (0.51) | ALDH1A1HPGDSMN1; SMN2MAPTNR1H3 | |
| SCHEMBL10616077 | 0.68 | ALDH1A1 (0.49) | ALDH1A1HPGDSMN1; SMN2MAPTNR1H3 | |
| SCHEMBL13272624 | 0.68 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2MMP1MMP9 | |
| SCHEMBL13366951 | 0.68 | ALDH1A1 (0.52) | ALDH1A1HPGDSMN1; SMN2MAPTNR1H3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005087721-A2 | COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-09-22 | — | — | WO | disclosed |