Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. 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 | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.32 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 2/20 | 0.31 |
| ▸ | CCND1 | P24385 | 2/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.31 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29564499 | 0.89 | PDCD1 (0.34) | PDCD1CD274CHRNB2CHRNA4CYP2A6 | |
| Hydrochloric Acid SCHEMBL2525982 | 0.89 | PDCD1 (0.34) | PDCD1CD274CHRNB2CHRNA4CYP2A6 | |
| Hydrochloric Acid SCHEMBL8853408 | 0.88 | ALDH1A1 (0.38) | KDM4EALDH1A1MAPTHPGDTSHR | |
| Hydrochloric Acid SCHEMBL2522928 | 0.88 | ALDH1A1 (0.38) | KDM4EALDH1A1MAPTHPGDTSHR | |
| Fluoride Ion SCHEMBL7636064 | 0.86 | PDCD1 (0.34) | PDCD1CD274CHRNB2CHRNA4CYP2A6 | |
| Hydrochloric Acid SCHEMBL6553574 | 0.85 | PDCD1 (0.32) | PDCD1CD274CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL2525067 | 0.85 | CA12 (0.36) | CA12CA1CA2CA9KDM4E | |
| Hydrochloric Acid SCHEMBL29612287 | 0.85 | CA12 (0.36) | CA12CA1CA2CA9KDM4E | |
| Fluoride Ion SCHEMBL7643349 | 0.85 | ALDH1A1 (0.38) | KDM4EALDH1A1MAPTHPGDTSHR | |
| Hydrochloric Acid SCHEMBL8633266 | 0.83 | PDCD1 (0.30) | PDCD1CD274 |
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 |
|---|---|---|---|---|---|---|---|
| US-5776851-A | COORDINATION POLYMERIZATION CATALYST | TARGOR GMBH (DE) | 1998-07-07 | — | — | US | claimed |
| US-5776851-A | COORDINATION POLYMERIZATION CATALYST | TARGOR GMBH (DE) | 1998-07-07 | — | — | US | disclosed |
| US-5693730-A | METALLOCENES HAVING MORE THAN ONE CENTRAL ATOM AND A SPECIAL BRIDGE STRUCTURE FOR PREPARING ISOTACTIC, HIGH-MOLECULAR-WEIGHT POLYMERS HAVING GOOD GRAIN MORPHOLOGY; PROPYLENE HOMO- AND COPOLYMERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-02 | — | — | US | disclosed |