Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | GRM8 | O00222 | 2/20 | 0.36 |
| ▸ | GRM6 | O15303 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL628164 | 0.81 | — | — | |
| SCHEMBL2775001 | 0.78 | GRM4 (0.44) | SLC6A4CYP2C19GRM4CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL28453447 | 0.76 | GRM4 (0.42) | SLC6A4CYP2C19GRM4CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL3272762 | 0.76 | GRM4 (0.42) | SLC6A4CYP2C19GRM4CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL628165 | 0.76 | GRM4 (0.42) | SLC6A4CYP2C19GRM4CYP1A2CYP2D6 | |
| SCHEMBL10532278 | 0.74 | APLNR (0.39) | SLC6A4CYP2C19GRM4CYP1A2CYP2D6 | |
| SCHEMBL21019008 | 0.69 | — | — | |
| SCHEMBL302705 | 0.69 | — | — | |
| SCHEMBL30723104 | 0.69 | SLC6A4 (0.31) | SLC6A4 | |
| SCHEMBL29618225 | 0.69 | MAPT (0.37) | SLC6A4CYP2C19GRM4CYP1A2CYP2D6 |
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-2705039-A2 | BROMODOMAIN INHIBITORS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2014-03-12 | — | — | EP | disclosed |
| WO-2012151512-A2 | BROMODOMAIN INHIBITORS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2012-11-08 | — | — | WO | disclosed |