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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2092356 | 0.96 | MAPT (0.56) | MAPTGAANPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7416456 | 0.94 | NPC1 (0.57) | MAPTGAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8322708 | 0.82 | MAPT (0.57) | MAPTGAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27428765 | 0.81 | MAPT (0.53) | MAPTGAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8310787 | 0.80 | GRM4 (0.49) | MAPTGAANPC1SMN1; SMN2GRM4 | |
| SCHEMBL2092353 | 0.78 | MAPT (0.54) | MAPTGAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5809000 | 0.78 | MAPT (0.54) | MAPTGAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1576262 | 0.77 | CA2 (0.52) | MAPTGAANPC1RAB9ASMN1; SMN2 | |
| Bromide SCHEMBL20984140 | 0.77 | MAPT (0.53) | MAPTGAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30358959 | 0.77 | MAPT (0.61) | MAPTGAANPC1RAB9ASMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1113796-A4 | FUSED PYRIDINE INHIBITORS OF cGMP PHOSPHODIESTERASE | BRISTOL MYERS SQUIBB CO (US) | 2003-07-30 | — | — | EP | disclosed |
| EP-1165521-A4 | FUSED PYRIDOPYRIDAZINE INHIBITORS OF cGMP PHOSPHODIESTERASE | BRISTOL MYERS SQUIBB CO (US) | 2002-05-22 | — | — | EP | disclosed |
| EP-1165521-A1 | FUSED PYRIDOPYRIDAZINE INHIBITORS OF cGMP PHOSPHODIESTERASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-01-02 | — | — | EP | disclosed |
| US-6326379-B1 | ERECTILE DYSFUNCTION; CARDIOVASCULAR DISORDERS | BRISTOL-MYERS SQUIBB CO. | 2001-12-04 | — | — | US | disclosed |
| US-6316438-B1 | Fused pyridopyridazine inhibitors of cGMP phosphodiesterase | BRISTOL-MYERS SQUIBB CO. | 2001-11-13 | — | — | US | disclosed |
| EP-1113796-A1 | FUSED PYRIDINE INHIBITORS OF cGMP PHOSPHODIESTERASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-07-11 | — | — | EP | disclosed |
| WO-2000056719-A1 | FUSED PYRIDOPYRIDAZINE INHIBITORS OF cGMP PHOSPHODIESTERASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-09-28 | — | — | WO | disclosed |
| WO-2000015222-A1 | FUSED PYRIDINE INHIBITORS OF cGMP PHOSPHODIESTERASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-03-23 | — | — | WO | disclosed |