Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL882340 | 1.00 | CHRNB2 (0.33) | CHRNB2CHRNA7CHRNA4ALDH1A1TSHR | |
| SCHEMBL15096202 | 1.00 | CHRNB2 (0.33) | CHRNB2CHRNA7CHRNA4ALDH1A1TSHR | |
| SCHEMBL15094488 | 1.00 | CHRNB2 (0.33) | CHRNB2CHRNA7CHRNA4ALDH1A1TSHR | |
| SCHEMBL15094487 | 1.00 | CHRNB2 (0.33) | CHRNB2CHRNA7CHRNA4ALDH1A1TSHR | |
| SCHEMBL10092278 | 0.89 | ALDH1A1 (0.31) | ALDH1A1TSHRMEN1CYP3A4MAPT | |
| SCHEMBL10092280 | 0.89 | ALDH1A1 (0.31) | ALDH1A1TSHRMEN1CYP3A4MAPT | |
| SCHEMBL3703449 | 0.80 | TSHR (0.36) | CHRNB2CHRNA7CHRNA4ALDH1A1TSHR | |
| SCHEMBL10092275 | 0.80 | TSHR (0.36) | CHRNB2CHRNA7CHRNA4ALDH1A1TSHR | |
| SCHEMBL15412875 | 0.80 | TSHR (0.36) | CHRNB2CHRNA7CHRNA4ALDH1A1TSHR | |
| SCHEMBL15423605 | 0.79 | TRPA1 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2618665-A1 | HCV NS3 PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012040040-A1 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-03-29 | — | — | WO | disclosed |