Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TLR2 | O60603 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1293647 | 0.85 | BACE1 (0.47) | BACE1ALDH1A1SMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL16974283 | 0.83 | BACE1 (0.42) | BACE1ALDH1A1SMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL12520183 | 0.82 | HSD17B14 (0.51) | BACE1ALDH1A1SMN1; SMN2LMNANPC1 | |
| SCHEMBL262639 | 0.81 | BACE1 (0.50) | BACE1ALDH1A1SMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL26803625 | 0.81 | MEN1 (0.46) | ALDH1A1SMN1; SMN2LMNAL3MBTL1NPC1 | |
| SCHEMBL18464545 | 0.81 | BACE1 (0.46) | BACE1ALDH1A1SMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL2001591 | 0.80 | ALDH1A1 (0.65) | BACE1ALDH1A1SMN1; SMN2ABCG2NPC1 | |
| SCHEMBL1000331 | 0.80 | MGAM (0.56) | BACE1ALDH1A1SMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL20246308 | 0.79 | ALDH1A1 (0.44) | BACE1ALDH1A1SMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL283861 | 0.78 | MEN1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102712623-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2014-04-02 | — | — | CN | disclosed |
| CN-102712623-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2012-10-03 | — | — | CN | disclosed |
| CN-102686565-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2012-09-19 | — | — | CN | disclosed |