Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL845015 | 0.89 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL845284 | 0.86 | MAPK1 (0.58) | MAPK1ALDH1A1ROCK2MEN1KMT2A | |
| SCHEMBL845376 | 0.85 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL845401 | 0.85 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL845191 | 0.84 | HRH3 (0.52) | ALDH1A1ROCK2KDM4E | |
| SCHEMBL845712 | 0.84 | HRH3 (0.50) | ALDH1A1KDM4E | |
| SCHEMBL845534 | 0.84 | HRH3 (0.43) | ALDH1A1KMT2AKDM4EATM | |
| SCHEMBL845643 | 0.81 | MAPK1 (0.50) | MAPK1ALDH1A1ROCK2KMT2ACYP2C9 | |
| SCHEMBL845279 | 0.81 | ALDH1A1 (0.53) | MAPK1ALDH1A1MEN1KMT2ACYP2C9 | |
| SCHEMBL845618 | 0.80 | MAPK1 (0.56) | MAPK1ALDH1A1MEN1KMT2ACYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| US-8143288-B2 | Inhibitors of HCV replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| EP-1893573-B1 | INHIBITORS OF HCV REPLICATION | BRISTOL MYERS SQUIBB CO (US) | 2010-07-21 | — | — | EP | disclosed |