Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 5/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9218848 | 0.98 | CYP3A4 (0.33) | CYP3A4TSHRKCNQ2CYP1A2CYP2C9 | |
| SCHEMBL9260372 | 0.79 | CYP11B1 (0.40) | CYP3A4TSHRKCNQ2CYP1A2CYP2C9 | |
| SCHEMBL9208908 | 0.64 | CYP11B1 (0.35) | CYP3A4TSHRCYP11B1CYP11B2CYP17A1 | |
| Hydrochloric Acid SCHEMBL9218850 | 0.62 | CYP11B1 (0.35) | CYP3A4CYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL721736 | 0.62 | CYP17A1 (0.61) | CYP3A4TSHRCYP1A2CYP2C9CYP11B1 | |
| SCHEMBL1133597 | 0.61 | TDP1 (0.37) | CYP3A4TSHRALOX15 | |
| SCHEMBL13873567 | 0.60 | CYP17A1 (0.65) | CYP3A4TSHRCYP1A2CYP2C9CYP11B1 | |
| SCHEMBL2750124 | 0.60 | L3MBTL1 (0.63) | CYP1A2ALOX15CYP11B1CYP11B2POLB | |
| SCHEMBL29599407 | 0.60 | TDP1 (0.35) | CYP3A4TSHRALOX15 | |
| Sibopirdine SCHEMBL120953 | 0.60 | CYP3A4 (0.54) | CYP3A4TSHRKCNQ2CYP1A2CYP2C9 |
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-0660833-A1 | 3,3'-DISUBSTITUTED-1,3-DIHYDRO-2H-PYRROLO 2,3-b]HETEROCYCLIC-2-ONE USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS OF MAN | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-05 | — | — | EP | disclosed |