Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | KLK7 | P49862 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10758245 | 0.91 | HDAC6 (0.42) | HDAC6KMT2ARAB9ANPC1MEN1 | |
| SCHEMBL10756399 | 0.87 | RAB9A (0.46) | KMT2ARAB9ANPC1MEN1MAPT | |
| SCHEMBL10755848 | 0.80 | KLK7 (0.56) | HDAC6KMT2ARAB9ANPC1MEN1 | |
| SCHEMBL10754174 | 0.78 | CA2 (0.51) | HDAC6RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL12970200 | 0.75 | RAB9A (0.55) | KMT2ARAB9ANPC1MEN1MAPT | |
| SCHEMBL10755442 | 0.75 | SMN1; SMN2 (0.59) | KMT2ARAB9ANPC1MEN1MAPT | |
| SCHEMBL10752677 | 0.75 | ALDH1A1 (0.64) | HDAC6KMT2ARAB9ANPC1MEN1 | |
| SCHEMBL1202800 | 0.73 | ALDH1A1 (0.49) | KMT2ARAB9ANPC1MEN1MAPT | |
| SCHEMBL5309811 | 0.72 | NPC1 (0.57) | KMT2ARAB9ANPC1MEN1MAPT | |
| SCHEMBL15473569 | 0.72 | NPC1 (0.57) | RAB9ANPC1MAPTTP53APP |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4716169-A | INOTROPIC AGENTS | DR. KARL THOMAE GMBH (DE) | 1987-12-29 | — | — | US | disclosed |