Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 7/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 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 | |
|---|---|---|---|---|
| SCHEMBL17479970 | 0.92 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNAHPGDNPSR1 | |
| SCHEMBL9281168 | 0.89 | ALDH1A1 (0.41) | ALDH1A1MAPTLMNAHPGDNPSR1 | |
| SCHEMBL17480066 | 0.87 | ALDH1A1 (0.41) | ALDH1A1MAPTLMNAHPGDNPSR1 | |
| SCHEMBL12152373 | 0.83 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNAHPGDNPSR1 | |
| SCHEMBL9886450 | 0.80 | ALDH1A1 (0.38) | ALDH1A1MAPTLMNAHPGDNPSR1 | |
| SCHEMBL30013082 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNAHPGDNPSR1 | |
| SCHEMBL17059541 | 0.78 | ALDH1A1 (0.44) | ALDH1A1MAPTLMNAHPGDNPSR1 | |
| SCHEMBL23728631 | 0.77 | CASP3 (0.44) | ALDH1A1MAPTLMNAHPGDNPSR1 | |
| SCHEMBL15281424 | 0.77 | CASP3 (0.44) | ALDH1A1MAPTLMNAHPGDNPSR1 | |
| SCHEMBL872752 | 0.77 | CASP3 (0.44) | ALDH1A1MAPTLMNAHPGDNPSR1 |
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-9249161-B2 | Bromodomain inhibitors and uses thereof | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2016-02-02 | — | — | US | disclosed |
| US-9249161-B2 | Bromodomain inhibitors and uses thereof | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2016-02-02 | — | — | US | disclosed |
| WO-2012075456-A1 | BROMODOMAIN INHIBITORS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS (US) | 2012-06-07 | — | — | WO | disclosed |