Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | PLA2G7 | Q13093 | 2/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | PNP | P00491 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 SCHEMBL9218850 | 0.98 | CYP11B1 (0.35) | CYP11B1CYP11B2CYP17A1CYP19A1PLA2G7 | |
| SCHEMBL9208904 | 0.64 | CYP3A4 (0.34) | CYP11B1CYP11B2CYP17A1CYP19A1PLA2G7 | |
| Hydrochloric Acid SCHEMBL9218848 | 0.62 | CYP3A4 (0.33) | CYP11B1CYP11B2CYP17A1CYP19A1PLA2G7 | |
| SCHEMBL9694376 | 0.62 | CYP17A1 (0.44) | CYP11B1CYP11B2CYP17A1CYP19A1PNP | |
| SCHEMBL721736 | 0.61 | CYP17A1 (0.61) | CYP11B1CYP11B2CYP17A1CYP19A1POLB | |
| SCHEMBL4976694 | 0.59 | CYP17A1 (0.46) | CYP11B1CYP11B2CYP17A1CYP19A1PNP | |
| SCHEMBL13873567 | 0.59 | CYP17A1 (0.65) | CYP11B1CYP11B2CYP17A1CYP19A1POLB | |
| SCHEMBL14257671 | 0.56 | CYP17A1 (0.54) | CYP11B1CYP11B2CYP17A1CYP19A1POLB | |
| SCHEMBL27884901 | 0.56 | MAOA (0.67) | CYP11B1CYP11B2CYP17A1CYP19A1POLB | |
| SCHEMBL17737242 | 0.56 | KMT2A (0.44) | CYP11B1CYP11B2CYP17A1CYP19A1PLA2G7 |
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 |