Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Pentamidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.83 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.83 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.83 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.83 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.83 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.83 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.83 |
| ▸ | PRMT1 | Q99873 | 3/20 | 0.83 |
| ▸ | F2 | P00734 | 2/20 | 0.83 |
| ▸ | ST14 | Q9Y5Y6 | 2/20 | 0.83 |
| ▸ | TMPRSS2 | O15393 | 2/20 | 0.83 |
| ▸ | PLAU | P00749 | 1/20 | 0.83 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.83 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.83 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.83 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.83 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.83 |
| ▸ | F10 | P00742 | 1/20 | 0.83 |
| ▸ | PLG | P00747 | 1/20 | 0.83 |
| ▸ | S100B | P04271 | 1/20 | 0.83 |
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 | |
|---|---|---|---|---|
| Pentamidine SCHEMBL27531881 | 0.93 | PRMT1 (0.77) | PRMT1F2ST14TMPRSS2PLAU | |
| Pentamidine SCHEMBL1683237 | 0.93 | PRMT1 (0.77) | PRMT1F2ST14TMPRSS2PLAU | |
| Pentamidine SCHEMBL28765996 | 0.92 | ALDH1A1 (0.76) | PRMT1F2ST14TMPRSS2PLAU | |
| SCHEMBL14599628 | 0.91 | PRMT1 (1.00) | PRMT1F2ST14TMPRSS2PLAU | |
| SCHEMBL14599639 | 0.91 | PRMT1 (1.00) | PRMT1F2ST14TMPRSS2PLAU | |
| SCHEMBL14599631 | 0.91 | PRMT1 (1.00) | PRMT1F2ST14TMPRSS2PLAU | |
| Hexamidine SCHEMBL144738 | 0.91 | PRMT1 (1.00) | PRMT1F2ST14TMPRSS2PLAU | |
| Pentamidine SCHEMBL3329 | 0.91 | PRMT1 (1.00) | PRMT1F2ST14TMPRSS2PLAU | |
| Heptamidine SCHEMBL14599630 | 0.91 | PRMT1 (1.00) | PRMT1F2ST14TMPRSS2PLAU | |
| Hexamidine SCHEMBL28120595 | 0.89 | PRMT1 (0.89) | PRMT1F2ST14TMPRSS2PLAU |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0315467-A2 | Pentamidine salts useful in the treatment and prophylaxis of pneumocystis carinii pneumonia | LyphoMed, Inc. (US) | 1989-05-10 | — | — | EP | claimed |
| US-5084480-A | Treatment of pneumonia in persons with AIDS | FUJISAWA USA, INC. (US) | 1992-01-28 | — | — | US | disclosed |
| EP-0315467-A2 | Pentamidine salts useful in the treatment and prophylaxis of pneumocystis carinii pneumonia | LyphoMed, Inc. (US) | 1989-05-10 | — | — | EP | disclosed |