Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28062452 | 0.81 | GABRA1 (0.42) | KDM4EALDH1A1POLBCYP1A2CYP2C19 | |
| SCHEMBL4266314 | 0.78 | KDM4E (0.53) | KDM4ENQO1ALDH1A1HPGDNPSR1 | |
| SCHEMBL637337 | 0.78 | KDM4E (0.53) | KDM4ENQO1ALDH1A1HPGDNPSR1 | |
| SCHEMBL19388298 | 0.78 | KDM4E (0.49) | KDM4ENQO1ALDH1A1HPGDNPSR1 | |
| SCHEMBL13730041 | 0.78 | L3MBTL1 (0.49) | KDM4ENQO1ALDH1A1NPC1RAB9A | |
| SCHEMBL14924259 | 0.78 | CYP1A2 (0.38) | KDM4EALDH1A1HPGDCYP1A2CYP2C19 | |
| SCHEMBL1536283 | 0.77 | KDM4E (0.52) | KDM4ENQO1ALDH1A1HPGDNPSR1 | |
| SCHEMBL30861701 | 0.77 | KDM4E (0.52) | KDM4ENQO1ALDH1A1HPGDNPSR1 | |
| SCHEMBL20054241 | 0.77 | KDM4E (0.52) | KDM4ENQO1ALDH1A1HPGDNPSR1 | |
| SCHEMBL3838553 | 0.77 | KDM4E (0.52) | KDM4ENQO1ALDH1A1HPGDNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104918941-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2015-09-16 | — | — | CN | claimed |
| CN-104918941-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2015-09-16 | — | — | CN | disclosed |