Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL881073 | 0.84 | NR1I2 (0.43) | NR1I2SCN9APRKCAMMP12KDM4E | |
| SCHEMBL10186689 | 0.74 | NR1I2 (0.59) | NR1I2SCN9ACYP3A4 | |
| SCHEMBL10186659 | 0.74 | NR1I2 (0.42) | NR1I2SCN9APRKCAMMP12KDM4E | |
| SCHEMBL10185997 | 0.68 | KCNH2 (0.43) | NR1I2SCN9ACYP3A4 | |
| SCHEMBL13520521 | 0.68 | NR1I2 (0.39) | NR1I2SCN9APRKCAMMP12EGLN1 | |
| SCHEMBL881001 | 0.68 | NR1I2 (0.48) | NR1I2SCN9APRKCAMMP12MEN1 | |
| SCHEMBL881065 | 0.67 | NR1I2 (0.40) | NR1I2SCN9APRKCAMMP12ALDH1A1 | |
| SCHEMBL880962 | 0.66 | NR1I2 (0.46) | NR1I2SCN9APRKCAMMP12KDM4E | |
| SCHEMBL881076 | 0.66 | PRKCA (0.45) | NR1I2PRKCAMMP12CYP3A4 | |
| SCHEMBL13936881 | 0.66 | NR1I2 (0.55) | NR1I2SCN9APRKCAMMP12KDM4E |
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-2178878-B1 | TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL MYERS SQUIBB CO (US) | 2012-03-28 | — | — | EP | disclosed |