Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3327442 | 0.83 | CYP2C19 (0.70) | CYP2C19CYP2C9MAPTCA12CA1 | |
| SCHEMBL7234951 | 0.83 | CYP2C19 (0.70) | CYP2C19CYP2C9MAPTCA12CA1 | |
| Ammonia Solution, Strong SCHEMBL28298874 | 0.82 | CYP2C19 (0.68) | CYP2C19CYP2C9MAPTCA12CA1 | |
| SCHEMBL22660964 | 0.82 | CYP2C19 (0.68) | CYP2C19CYP2C9MAPTCA12CA1 | |
| SCHEMBL3690243 | 0.82 | CA12 (0.41) | MAPTCA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL28348719 | 0.80 | CA12 (0.39) | MAPTCA12CA1CA2CA7 | |
| SCHEMBL445504 | 0.79 | CYP4F2 (0.50) | CYP2C19CYP2C9MAPTCA12CA1 | |
| SCHEMBL30427003 | 0.79 | CYP4F2 (0.50) | CYP2C19CYP2C9MAPTCA12CA1 | |
| SCHEMBL264861 | 0.79 | CYP2C19 (0.64) | CYP2C19CYP2C9MAPTCA12CA1 | |
| SCHEMBL3400680 | 0.78 | CA12 (0.41) | MAPTCA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009103007-A2 | STEROID HORMONE RECEPTOR MODULATOR COMPOUNDS AND METHODS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2009-08-20 | — | — | WO | disclosed |