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 | 16/20 | 0.65 |
| ▸ | CA2 | P00918 | 16/20 | 0.65 |
| ▸ | CA4 | P22748 | 16/20 | 0.65 |
| ▸ | CA6 | P23280 | 16/20 | 0.65 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | CDK9 | P50750 | 1/20 | 0.50 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.50 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.50 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.50 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.50 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.50 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
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 SCHEMBL7736370 | 0.81 | CA1 (0.65) | CA1CA2CA4CA6CCNT1 | |
| Hydrochloric Acid SCHEMBL6481074 | 0.81 | CA1 (0.65) | CA1CA2CA4CA6CCNT1 | |
| Hydrochloric Acid SCHEMBL7746845 | 0.79 | CA1 (0.63) | CA1CA2CA4CA6CCNT1 | |
| SCHEMBL17963741 | 0.79 | CA1 (0.67) | CA1CA2CA4CA6CCNT1 | |
| SCHEMBL8523044 | 0.79 | CA1 (0.67) | CA1CA2CA4CA6CCNT1 | |
| SCHEMBL29370925 | 0.74 | CA1 (1.00) | CA1CA2CA4CA6CCNT1 | |
| SCHEMBL2298597 | 0.74 | CA1 (1.00) | CA1CA2CA4CA6CCNT1 | |
| Hydrochloric Acid SCHEMBL4629488 | 0.74 | CA1 (0.60) | CA1CA2CA4CA6CCNT1 | |
| Hydrochloric Acid SCHEMBL7723657 | 0.73 | CA1 (0.61) | CA1CA2CA4CA6 | |
| SCHEMBL20165853 | 0.71 | CA1 (0.59) | CA1CA2CA4CA6CCNT1 |
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 |