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 | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.32 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.32 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.32 |
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.32 |
| ▸ | PTAFR known ✓ | P25105 | 1/20 | 0.32 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | BMP1 | P13497 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8481796 | 0.76 | CYP11B1 (0.40) | CYP11B1CYP11B2HDAC3HDAC6HIF1A | |
| SCHEMBL1765841 | 0.76 | CYP11B1 (0.40) | CYP11B1CYP11B2HDAC3HDAC6HIF1A | |
| SCHEMBL28067941 | 0.75 | CYP11B1 (0.42) | CYP11B1CYP11B2HDAC3HDAC6HIF1A | |
| SCHEMBL17009956 | 0.74 | HDAC3 (0.36) | CYP11B1CYP11B2HDAC3HDAC6BMP1 | |
| SCHEMBL25307807 | 0.74 | CYP11B1 (0.38) | CYP11B1CYP11B2HDAC3HDAC6NR1I2 | |
| Hydrochloric Acid SCHEMBL9027797 | 0.74 | PDE4A (0.37) | HIF1ALMNACHRM4MAPTCHRM1 | |
| SCHEMBL27579878 | 0.74 | CYP11B1 (0.38) | CYP11B1CYP11B2HDAC3HDAC6HIF1A | |
| SCHEMBL5643534 | 0.73 | NOS1 (0.47) | BMP1CYP1A2CYP3A4 | |
| SCHEMBL6976468 | 0.73 | HDAC3 (0.35) | CYP11B1CYP11B2HDAC3HDAC6BMP1 | |
| SCHEMBL4957722 | 0.73 | NOS1 (0.47) | BMP1CYP1A2CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1224170-B9 | 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT | BOEHRINGER INGELHEIM PHARMA (DE) | 2017-11-22 | — | — | EP | disclosed |
| EP-2157081-A1 | Indolinones substituted in six locations, their manufacture and their application as medicine | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2010-02-24 | — | — | EP | disclosed |
| EP-1224170-B1 | 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT | BOEHRINGER INGELHEIM PHARMA (DE) | 2009-08-12 | — | — | EP | disclosed |
| US-6762180-B1 | Substituted indolines which inhibit receptor tyrosine kinases | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2004-07-13 | — | — | US | disclosed |
| EP-1224170-A1 | 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT | Boehringer Ingelheim Pharma KG (DE) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001027081-A1 | 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-04-19 | — | — | WO | disclosed |