Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL17848619 | 0.87 | KDM4E (0.55) | HRH3KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL19216371 | 0.85 | TDP1 (0.69) | HRH3KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL17848423 | 0.84 | TSHR (0.66) | HRH3KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL23366615 | 0.83 | KDM4E (0.61) | HRH3KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL13467867 | 0.81 | CYP2D6 (0.79) | KDM4EALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL19389876 | 0.81 | KDM4E (0.75) | HRH3KDM4EALDH1A1LMNA | |
| SCHEMBL11173592 | 0.80 | KDM4E (0.61) | HRH3KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL14970552 | 0.79 | HTT (0.64) | HRH3KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL13698799 | 0.78 | KDM4E (0.69) | KDM4EALDH1A1MEN1KMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL1728657 | 0.77 | KDM4E (0.67) | KDM4EALDH1A1MEN1KMT2ACYP1A2 |
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-3233077-A1 | DOPAMINE D2 RECEPTOR LIGANDS | The Broad Institute Inc. (US) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016100940-A1 | DOPAMINE D2 RECEPTOR LIGANDS | THE BROAD INSTITUTE, INC. (US) | 2016-06-23 | — | — | WO | disclosed |