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 | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 11/20 | 0.59 |
| ▸ | CA2 | P00918 | 11/20 | 0.59 |
| ▸ | CA4 | P22748 | 11/20 | 0.59 |
| ▸ | CA6 | P23280 | 11/20 | 0.59 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 2/20 | 0.42 |
| ▸ | MAP3K9 | P80192 | 2/20 | 0.42 |
| ▸ | MAP3K10 | Q02779 | 2/20 | 0.42 |
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.42 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | PRKCG | P05129 | 1/20 | 0.40 |
| ▸ | PRKCB | P05771 | 1/20 | 0.40 |
| ▸ | PRKCA | P17252 | 1/20 | 0.40 |
| ▸ | PRKCH | P24723 | 1/20 | 0.40 |
| ▸ | PRKCI | P41743 | 1/20 | 0.40 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.40 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.40 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.40 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.40 |
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 SCHEMBL7723657 | 0.83 | CA1 (0.61) | CA1CA2CA4CA6NTRK1 | |
| Hydrochloric Acid SCHEMBL6481072 | 0.82 | CA1 (0.59) | CA1CA2CA4CA6NTRK1 | |
| Hydrochloric Acid SCHEMBL7746844 | 0.81 | CA1 (0.58) | CA1CA2CA4CA6NTRK1 | |
| SCHEMBL2298597 | 0.75 | CA1 (1.00) | CA1CA2CA4CA6MAPK10 | |
| SCHEMBL29370925 | 0.75 | CA1 (1.00) | CA1CA2CA4CA6MAPK10 | |
| Hydrochloric Acid SCHEMBL7736370 | 0.72 | CA1 (0.65) | CA1CA2CA4CA6 | |
| Hydrochloric Acid SCHEMBL30811904 | 0.71 | PNMT (0.52) | CA1CA2CA4CA6KDR | |
| Hydrochloric Acid SCHEMBL3384912 | 0.71 | PNMT (0.52) | CA1CA2CA4CA6KDR | |
| Hydrochloric Acid SCHEMBL6242427 | 0.71 | CA1 (0.46) | CA1CA2CA4CA6NTRK1 | |
| SCHEMBL7746281 | 0.70 | CA1 (0.75) | CA1CA2CA4CA6NTRK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6376629-B2 | ORGANOMETALLIC COMPOUND | EQUISTAR CHEMICALS, LP | 2002-04-23 | — | — | US | disclosed |
| US-20010007848-A1 | Single-site catalysts for olefin polymerization | EQUISTAR CHEMICALS, L.P. | 2001-07-12 | — | — | US | disclosed |
| US-6232260-B1 | ORGANOMETALLIC COMPLEX COMPRISES A GROUP 3 TO 10 TRANSITION OR LANTHANIDE METAL, M, AND AT LEAST ONE INDENOINDOLYL LIGAND THAT IS .PI.-BONDED TO M. | EQUISTAR CHEMICALS, L.P. | 2001-05-15 | — | — | US | disclosed |
| WO-2001027125-A1 | SINGLE-SITE CATALYSTS FOR OLEFIN POLYMERIZATION | EQUISTAR CHEMICALS, L.P. (US) | 2001-04-19 | — | — | WO | disclosed |