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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1485845 | 0.76 | — | — | |
| SCHEMBL702526 | 0.75 | TSHR (0.53) | TSHRACHECYP2C9ESR1ESR2 | |
| SCHEMBL30102300 | 0.75 | TSHR (0.57) | TSHRACHECYP2C9ESR1ESR2 | |
| SCHEMBL4865789 | 0.75 | TSHR (0.57) | TSHRACHECYP2C9ESR1ESR2 | |
| SCHEMBL10813090 | 0.75 | TSHR (0.57) | TSHRACHECYP2C9ESR1ESR2 | |
| SCHEMBL630878 | 0.72 | — | — | |
| SCHEMBL4725712 | 0.70 | — | — | |
| SCHEMBL6451646 | 0.70 | — | — | |
| SCHEMBL836649 | 0.70 | — | — | |
| SCHEMBL1485843 | 0.70 | — | — |
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-0960142-B1 | GROUP 5 TRANSITION METAL COMPOUNDS | EXXONMOBIL CHEM PATENTS INC (US) | 2005-10-05 | — | — | EP | disclosed |
| US-6232416-B1 | COORDINATION CATALYST | EXXON MOBIL CHEMICAL PATENTS INC. | 2001-05-15 | — | — | US | disclosed |
| US-5851945-A | Olefin polymerization catalyst compositions comprising group 5 transition metal compounds stabilized in their highest metal oxidation state | EXXON CHEMICAL PATENTS INC. (US) | 1998-12-22 | — | — | US | disclosed |