Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL5769097 | 0.73 | CYP19A1 (0.39) | CYP19A1BRD4ALDH1A1KDM4EHDAC1 | |
| SCHEMBL22503036 | 0.71 | ALDH1A1 (0.38) | ALDH1A1KDM4EMAPTSMN1; SMN2HPGD | |
| SCHEMBL5772646 | 0.71 | NPC1 (0.38) | ALDH1A1KDM4EMAPTSMN1; SMN2HPGD | |
| SCHEMBL5771074 | 0.71 | CCR1 (0.38) | ALDH1A1KDM4EMAPTSMN1; SMN2HPGD | |
| Hydrochloric Acid SCHEMBL5772800 | 0.69 | NPC1 (0.37) | ALDH1A1KDM4EMAPTSMN1; SMN2HPGD | |
| SCHEMBL19817523 | 0.67 | ALDH1A1 (0.35) | ALDH1A1KDM4EMAPTSMN1; SMN2HPGD | |
| SCHEMBL6217690 | 0.67 | HPGD (0.41) | ALDH1A1KDM4EMAPTSMN1; SMN2HPGD | |
| SCHEMBL27489110 | 0.66 | CYP19A1 (0.46) | CYP19A1BRD4ALDH1A1HDAC1HDAC6 | |
| SCHEMBL2053853 | 0.65 | KCNH2 (0.47) | CYP19A1ALDH1A1KDM4ESMN1; SMN2HPGD | |
| SCHEMBL17159812 | 0.64 | CYP19A1 (0.80) | CYP19A1HDAC1HDAC6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1383768-B1 | IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME (GB) | 2006-09-06 | — | — | EP | disclosed |