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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
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 SCHEMBL9075893 | 1.00 | ALDH1A1 (0.37) | ALDH1A1TDP1ACHEDHFRCYP3A4 | |
| Bromide SCHEMBL8159840 | 0.95 | ALDH1A1 (0.37) | ALDH1A1TDP1ACHEDHFRCYP3A4 | |
| Bromide SCHEMBL8159838 | 0.95 | ALDH1A1 (0.37) | ALDH1A1TDP1ACHEDHFRCYP3A4 | |
| SCHEMBL6432113 | 0.95 | TDP1 (0.40) | ALDH1A1TDP1ACHEDHFRCYP3A4 | |
| SCHEMBL8849646 | 0.92 | TDP1 (0.39) | ALDH1A1TDP1ACHEDHFRCYP3A4 | |
| Hydrochloric Acid SCHEMBL28102752 | 0.92 | TDP1 (0.39) | ALDH1A1TDP1ACHEDHFRCYP3A4 | |
| Hydrochloric Acid SCHEMBL9075888 | 0.90 | ALDH1A1 (0.37) | ALDH1A1TDP1ACHEDHFRCYP3A4 | |
| Bromide SCHEMBL8159834 | 0.90 | ALDH1A1 (0.37) | ALDH1A1TDP1ACHEDHFRCYP3A4 | |
| Hydrochloric Acid SCHEMBL4451617 | 0.90 | ALDH1A1 (0.37) | ALDH1A1TDP1ACHEDHFRCYP3A4 | |
| SCHEMBL9501308 | 0.74 | TDP1 (0.40) | ALDH1A1TDP1ACHEDHFRCYP3A4 |
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-0511015-B1 | Process for producing polybutadiene | JAPAN SYNTHETIC RUBBER CO LTD (JP) | 1997-08-27 | — | — | EP | claimed |
| US-5548045-A | USING A COORDINATION CATALYST COMPOSED OF A COBALT COMPOUND, ORGANOALUMINUM COMPOUND AND A PHOSPHINE COMPOUND | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1996-08-20 | — | — | US | claimed |
| EP-0511015-B1 | Process for producing polybutadiene | JAPAN SYNTHETIC RUBBER CO LTD (JP) | 1997-08-27 | — | — | EP | disclosed |
| US-5548045-A | USING A COORDINATION CATALYST COMPOSED OF A COBALT COMPOUND, ORGANOALUMINUM COMPOUND AND A PHOSPHINE COMPOUND | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1996-08-20 | — | — | US | disclosed |
| EP-0511015-A1 | Process for producing polybutadiene | JAPAN SYNTHETIC RUBBER CO., LTD. (JP) | 1992-10-28 | — | — | EP | disclosed |