Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pf-232798. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 known ✓ | P51681 | 12/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 8/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Pf-232798 SCHEMBL1049072 | 1.00 | CCR5 (1.00) | CCR5KCNH2 | |
| Pf-232798 SCHEMBL30227242 | 1.00 | CCR5 (1.00) | CCR5KCNH2 | |
| Pf-232798 SCHEMBL1527455 | 1.00 | CCR5 (1.00) | CCR5KCNH2 | |
| Pf-232798 SCHEMBL3071187 | 0.96 | CCR5 (0.92) | CCR5KCNH2 | |
| Pf-232798 SCHEMBL3075843 | 0.96 | CCR5 (0.92) | CCR5KCNH2 | |
| Pf-232798 SCHEMBL3075846 | 0.96 | CCR5 (0.92) | CCR5KCNH2 | |
| SCHEMBL30227452 | 0.94 | CCR5 (0.89) | CCR5KCNH2 | |
| SCHEMBL3070604 | 0.94 | KCNH2 (1.00) | CCR5KCNH2 | |
| SCHEMBL3070606 | 0.94 | KCNH2 (1.00) | CCR5KCNH2 | |
| SCHEMBL2575130 | 0.93 | KCNH2 (0.90) | CCR5KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2741777-A1 | METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PULMONARY HYPERTENSION | INSERM - Institut National de la Santé et de la Recherche Médicale (FR) | 2014-06-18 | — | — | EP | disclosed |
| WO-2013024022-A1 | METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PULMONARY HYPERTENSION | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2013-02-21 | — | — | WO | disclosed |