Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nitric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.58 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 6/20 | 0.42 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL7040967 | 0.84 | SPHK2 (0.52) | SPHK2SPHK1NOS3NOS1NOS2 | |
| SCHEMBL1795496 | 0.83 | — | — | |
| SCHEMBL3262023 | 0.83 | SPHK2 (0.79) | SPHK2SPHK1CES1CES2ALDH1A1 | |
| SCHEMBL3989834 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL7060562 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL3228 | 0.81 | — | — | |
| Acetic Acid SCHEMBL6262297 | 0.77 | SPHK2 (0.62) | SPHK2SPHK1CES1CES2ALDH1A1 | |
| Sulfuric Acid SCHEMBL9701273 | 0.77 | SPHK1 (0.62) | SPHK2SPHK1CES1CES2ALDH1A1 | |
| SCHEMBL1238028 | 0.76 | — | — | |
| Hexane SCHEMBL27687689 | 0.75 | ALDH1A1 (0.57) | CES1CES2ALDH1A1CA5ACA5B |
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 5 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 |
| CN-1020897-C | PROCESS FOR PREPARING OF PENTAMIDINE SALTS USEFUL IN TREATMENT AND PROPHYLAXIS OF PNEUMOCYSTIS CARINII PNEUMONIA | LYPHOMED INC (US) | 1993-05-26 | — | — | CN | disclosed |
| US-5084480-A | Treatment of pneumonia in persons with AIDS | FUJISAWA USA, INC. (US) | 1992-01-28 | — | — | US | disclosed |
| CN-1033046-A | Be used for the treatment of and prevent the pentamidine salts of pneumocystis carinii pneumonia | LYPHOMED LTD (US) | 1989-05-24 | — | — | CN | disclosed |
| EP-0315467-A2 | Pentamidine salts useful in the treatment and prophylaxis of pneumocystis carinii pneumonia | LyphoMed, Inc. (US) | 1989-05-10 | — | — | EP | disclosed |