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 | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.32 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL27509537 | 0.72 | — | — | |
| SCHEMBL3756846 | 0.71 | HSP90AA1 (0.38) | HSP90AA1 | |
| Phosphine SCHEMBL27276080 | 0.69 | — | — | |
| SCHEMBL12604 | 0.67 | — | — | |
| SCHEMBL14761736 | 0.65 | KDM4E (0.43) | HDAC8HSP90AA1KDM4ELMNACYP1A2 | |
| SCHEMBL10667471 | 0.65 | — | — | |
| SCHEMBL21275170 | 0.65 | — | — | |
| SCHEMBL28487590 | 0.65 | — | — | |
| SCHEMBL31013023 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL17581949 | 0.65 | — | — |
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-0700907-A1 | Process for producing pyrimidine derivative | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1996-03-13 | — | — | EP | claimed |
| JP-8059628-A | — | — | None | — | — | JP | disclosed |
| EP-0700907-A1 | Process for producing pyrimidine derivative | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1996-03-13 | — | — | EP | disclosed |
| EP-0700907-A1 | Process for producing pyrimidine derivative | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1996-03-13 | — | — | EP | disclosed |
| JP-H0859628-A | PRODUCTION OF PYRIMIDINE DERIVATIVE | SUMITOMO CHEM CO LTD | 1996-03-05 | — | — | JP | disclosed |
| US-4124630-A | Process for the production of chloromethyl thiocyanate | OFFERMANNS HERIBERT | 1978-11-07 | — | — | US | disclosed |