Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 1/20 | 0.46 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL22304942 | 0.82 | ESR1 (0.65) | ESR1ESR2ROCK2 | |
| SCHEMBL3384110 | 0.82 | GABBR2 (0.47) | GABBR2GABBR1AOC3ROCK2ROCK1 | |
| SCHEMBL4733307 | 0.81 | ESR1 (0.44) | AOC3ESR1ESR2HTTHDAC3 | |
| SCHEMBL684580 | 0.81 | CYP1A2 (0.48) | ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL21631913 | 0.81 | GABBR2 (0.46) | GABBR2GABBR1AOC3ROCK2ROCK1 | |
| SCHEMBL8217885 | 0.81 | BRD4 (0.53) | GABBR2GABBR1AOC3ESR1ESR2 | |
| SCHEMBL24244773 | 0.80 | ROCK2 (0.43) | GABBR2GABBR1AOC3ROCK2ROCK1 | |
| SCHEMBL21656311 | 0.80 | ESR1 (0.49) | GABBR2GABBR1AOC3ESR1ESR2 | |
| SCHEMBL637485 | 0.80 | GABBR2 (0.50) | GABBR2GABBR1ESR1ESR2 | |
| SCHEMBL12167861 | 0.79 | ESR1 (0.51) | ESR1ESR2 |
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-2970298-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | Bristol-Myers Squibb Company (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014164467-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-10-09 | — | — | WO | disclosed |