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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 6/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22034130 | 0.98 | ACHE (0.68) | ACHECYP1A2CYP2A6ALDH1A1KDM4E | |
| Iodide SCHEMBL222931 | 0.97 | ACHE (0.69) | ACHECYP1A2CYP2A6ALDH1A1KDM4E | |
| Iodide SCHEMBL10815828 | 0.84 | ACHE (0.66) | ACHECYP1A2CYP2A6ALDH1A1KDM4E | |
| SCHEMBL10814162 | 0.80 | ACHE (0.62) | ACHECYP1A2CYP2A6ALDH1A1KDM4E | |
| Iodide SCHEMBL17187192 | 0.80 | KDM4E (0.65) | ACHECYP1A2ALDH1A1KDM4EHTT | |
| Hydrochloric Acid SCHEMBL7566412 | 0.80 | ACHE (0.58) | ACHEBCHE | |
| Bromide SCHEMBL29389671 | 0.80 | KDM4E (0.61) | ACHECYP1A2ALDH1A1KDM4EHTT | |
| Bromide SCHEMBL2340311 | 0.79 | ACHE (0.97) | ACHECYP1A2CYP2A6ALDH1A1KDM4E | |
| SCHEMBL30914704 | 0.79 | ACHE (0.60) | ACHEBCHE | |
| Bromide SCHEMBL10812845 | 0.79 | ACHE (0.60) | ACHECYP1A2CYP2A6ALDH1A1KDM4E |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6806089-B1 | QUANTITATIVE ANALYSIS; DOES NOT REQUIRE THE SENSING FLUOROPHORE TO DISPLAY A CHANGE IN LIFETIME; SELF-CALIBRATING | UNIVERSITY OF MARYLAND, BALTIMORE | 2004-10-19 | — | — | US | claimed |
| WO-2000014515-A9 | LOW FREQUENCY MODULATION SENSORS USING NANOSECOND FLUOROPHORES | UNIV MARYLAND (US) | 2000-08-31 | — | — | WO | claimed |
| WO-2000014515-A1 | LOW FREQUENCY MODULATION SENSORS USING NANOSECOND FLUOROPHORES | UNIVERSITY OF MARYLAND AT BALTIMORE (US) | 2000-03-16 | — | — | WO | claimed |
| US-10472635-B2 | Methods of treating brain edema | SNUTCH TERRANCE P (CA) | 2019-11-12 | — | — | US | disclosed |
| US-20180195075-A1 | METHODS OF TREATING BRAIN EDEMA | SNUTCH TERRANCE P (CA) | 2018-07-12 | — | — | US | disclosed |
| WO-2016134032-A1 | METHODS OF TREATING BRAIN EDEMA | SNUTCH TERRANCE P (CA) | 2016-08-25 | — | — | WO | disclosed |
| WO-2005024003-A1 | DEVELOPMENT OF AN ANIONIC SENSOR FOR LIVING CELLS : APPLICATION TO THE HUMAN GLYCINE RECEPTOR | INSTITUT PASTEUR (FR) | 2005-03-17 | — | — | WO | disclosed |
| EP-1514922-A1 | Development of an anionic sensor for living cells: application to the human glycine receptor | INSTITUT PASTEUR (FR) | 2005-03-16 | — | — | EP | disclosed |
| US-6806089-B1 | QUANTITATIVE ANALYSIS; DOES NOT REQUIRE THE SENSING FLUOROPHORE TO DISPLAY A CHANGE IN LIFETIME; SELF-CALIBRATING | UNIVERSITY OF MARYLAND, BALTIMORE | 2004-10-19 | — | — | US | disclosed |
| WO-2000014515-A9 | LOW FREQUENCY MODULATION SENSORS USING NANOSECOND FLUOROPHORES | UNIV MARYLAND (US) | 2000-08-31 | — | — | WO | disclosed |
| WO-2000014515-A1 | LOW FREQUENCY MODULATION SENSORS USING NANOSECOND FLUOROPHORES | UNIVERSITY OF MARYLAND AT BALTIMORE (US) | 2000-03-16 | — | — | WO | disclosed |