Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | SCN1A | P35498 | 4/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 4/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.37 |
| ▸ | HTR3A | P46098 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11176290 | 0.89 | ESR1 (0.44) | CYP2D6CYP3A4THPOMTORMEN1 | |
| SCHEMBL11174735 | 0.89 | ESR1 (0.44) | CYP2D6CYP3A4THPOMTORMEN1 | |
| SCHEMBL11182765 | 0.87 | ESR1 (0.45) | CYP2D6CYP3A4THPOMTORMEN1 | |
| SCHEMBL11174490 | 0.87 | ESR1 (0.43) | CYP2D6CYP3A4THPOMTORMEN1 | |
| SCHEMBL11167853 | 0.86 | ESR1 (0.46) | CYP2D6CYP3A4THPOMTORMEN1 | |
| SCHEMBL11261651 | 0.84 | ESR1 (0.42) | CYP2D6CYP3A4THPOMTORMEN1 | |
| SCHEMBL11180072 | 0.84 | ESR1 (0.47) | CYP2D6CYP3A4THPOMTORMEN1 | |
| SCHEMBL11171706 | 0.83 | ESR1 (0.45) | CYP2D6CYP3A4THPOMTORMEN1 | |
| SCHEMBL11184488 | 0.83 | ESR1 (0.45) | CYP2D6CYP3A4THPOMTORMEN1 | |
| SCHEMBL11179880 | 0.83 | ESR1 (0.47) | CYP2D6CYP3A4THPOMTORMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4362738-A | ANTIINFLAMMATORIES | DR. KARL THOMAE GMBH (DE) | 1982-12-07 | — | — | US | disclosed |