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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | F2 | P00734 | 2/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CHKA | P35790 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | AGXT | P21549 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL565104 | 0.98 | LTA4H (0.53) | LTA4HHSP90AA1ACHEBCHEIDO1 | |
| SCHEMBL9502792 | 0.87 | LTA4H (0.47) | LTA4HHSP90AA1ACHEBCHEF2 | |
| SCHEMBL18775288 | 0.84 | ALDH1A1 (0.60) | LTA4HACHEF2PRSS1RAB9A | |
| Hydrochloric Acid SCHEMBL11637202 | 0.83 | ACHE (0.61) | ACHEBCHERAB9ACHKAKDM4E | |
| SCHEMBL12306074 | 0.82 | CHKA (0.56) | LTA4HACHEF2PRSS1RAB9A | |
| SCHEMBL7837346 | 0.82 | CHKA (0.49) | ACHEBCHEIDO1RAB9ACHKA | |
| SCHEMBL9248148 | 0.82 | ALDH1A1 (0.46) | LTA4HRAB9AKDM4EALDH1A1NPC1 | |
| Trifluoromethanesulfonic Acid SCHEMBL20719782 | 0.82 | KCNH2 (0.45) | LTA4HHSP90AA1ACHEALDH1A1 | |
| Hydrochloric Acid SCHEMBL10916405 | 0.81 | CHKA (0.51) | ACHEBCHEIDO1CHKA | |
| SCHEMBL10325407 | 0.81 | ACHE (0.64) | ACHEBCHEF2PRSS1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080201095-A1 | Method for Calibrating an Analytical Instrument | VERMILLION, INC. | 2008-08-21 | — | — | US | disclosed |
| WO-2008100941-A2 | A METHOD FOR CALIBRATING AN ANALYTICAL INSTRUMENT | CORRELOGIC SYSTEMS INC. (US) | 2008-08-21 | — | — | WO | disclosed |