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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.33 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 2/20 | 0.32 |
| ▸ | MITF | O75030 | 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 | |
|---|---|---|---|---|
| SCHEMBL7569895 | 0.81 | NPC1 (0.32) | NPC1RAB9ASMN1; SMN2KDM4ETGFBR1 | |
| Hydrochloric Acid SCHEMBL7572181 | 0.81 | MAOA (0.35) | NPC1RAB9ASMN1; SMN2KDM4EHIF1A | |
| Hydrochloric Acid SCHEMBL7571201 | 0.80 | MAOA (0.32) | NPC1RAB9ASMN1; SMN2KDM4ETGFBR1 | |
| Hydrochloric Acid SCHEMBL7564447 | 0.80 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2KDM4EHIF1A | |
| SCHEMBL7571196 | 0.78 | MAOA (0.31) | MAOA | |
| Hydrochloric Acid SCHEMBL7571472 | 0.77 | ADRA1A (0.36) | NPC1RAB9ASMN1; SMN2KDM4ETGFBR1 | |
| Hydrochloric Acid SCHEMBL7568942 | 0.72 | KDM4E (0.36) | NPC1RAB9ASMN1; SMN2KDM4EHIF1A | |
| SCHEMBL7568944 | 0.70 | KDM4E (0.34) | NPC1RAB9ASMN1; SMN2KDM4ETGFBR1 | |
| Hydrochloric Acid SCHEMBL7570610 | 0.69 | MAOA (0.34) | NPC1RAB9ASMN1; SMN2KDM4EHIF1A | |
| Hydrochloric Acid SCHEMBL7566150 | 0.68 | MAOA (0.32) | NPC1KDM4EMAOA |
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-5840947-A | Organometallic compound | TARGOR GMBH (DE) | 1998-11-24 | — | — | US | claimed |
| EP-0743317-B1 | Metallocenes comprising a heterocycle and catalysts containing them | BASELL POLYOLEFINE GMBH (DE) | 2002-08-28 | — | — | EP | disclosed |
| US-5840947-A | Organometallic compound | TARGOR GMBH (DE) | 1998-11-24 | — | — | US | disclosed |
| EP-0743317-A2 | Metallocenes comprising a heterocycle and catalysts containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-20 | — | — | EP | disclosed |