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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.35 |
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7324390 | 0.82 | KDM4C (0.47) | KDM4CMEN1KMT2ASLC6A3L3MBTL1 | |
| Bromide SCHEMBL11517500 | 0.80 | MEN1 (0.49) | KDM4CMEN1KMT2AL3MBTL1NPC1 | |
| Iodide SCHEMBL7755123 | 0.80 | MEN1 (0.49) | KDM4CMEN1KMT2AL3MBTL1NPC1 | |
| Bromide SCHEMBL5214341 | 0.80 | MEN1 (0.49) | KDM4CMEN1KMT2AL3MBTL1NPC1 | |
| Bromide SCHEMBL8442020 | 0.79 | MEN1 (0.51) | KDM4CMEN1KMT2AL3MBTL1NPC1 | |
| Bromide SCHEMBL3662825 | 0.79 | MEN1 (0.51) | KDM4CMEN1KMT2AL3MBTL1NPC1 | |
| Bromide SCHEMBL11354372 | 0.79 | MEN1 (0.51) | KDM4CMEN1KMT2AL3MBTL1NPC1 | |
| Bromide SCHEMBL31076183 | 0.79 | MEN1 (0.51) | KDM4CMEN1KMT2AL3MBTL1NPC1 | |
| Iodide SCHEMBL990197 | 0.76 | KDM4C (0.37) | KDM4CMEN1KMT2ASLC6A3L3MBTL1 | |
| SCHEMBL7097200 | 0.75 | EPHX1 (0.43) | KDM4CMEN1KMT2ATACR1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0888301-B1 | MCBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS | SCRIPPS RESEARCH INST (US) | 2005-08-10 | — | — | EP | disclosed |
| EP-0888301-A4 | MCBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS | SCRIPPS RESEARCH INST (US) | 2002-05-08 | — | — | EP | disclosed |
| US-6281354-B1 | ANTIBIOTICS; ANTITUMOR AGENTS | THE SCRIPPS RESEARCH INSTITUTE | 2001-08-28 | — | — | US | disclosed |
| EP-0983248-A4 | ANALOGS OF DUOCARMYCIN AND CC-1065 | SCRIPPS RESEARCH INST (US) | 2000-09-13 | — | — | EP | disclosed |
| EP-0983248-A1 | ANALOGS OF DUOCARMYCIN AND CC-1065 | The Scripps Research Institute (US) | 2000-03-08 | — | — | EP | disclosed |
| EP-0934269-A4 | ANALOGS OF CC-1065 AND THE DUOCARMYCINS | SCRIPPS RESEARCH INST (US) | 2000-01-12 | — | — | EP | disclosed |
| US-5985908-A | MCBI (7-METHOXY-1,2,9A-TETRA-HYDROCYCLOPROPA(C)BENZ(E)INDOL-4-ONE) IS EMPLOYABLE AS A DNA ALKYLATING AGENT AND CAN BE INCORPORATED INTO ANALOGS OF CC-1065 AND THE DUOCARMYCINS FOR | THE SCRIPPS RESEARCH INSTITUTE (US) | 1999-11-16 | — | — | US | disclosed |
| EP-0934269-A1 | ANALOGS OF CC-1065 AND THE DUOCARMYCINS | The Scripps Research Institute (US) | 1999-08-11 | — | — | EP | disclosed |
| EP-0888301-A1 | MCBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS | The Scripps Research Institute (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1998052925-A1 | ANALOGS OF DUOCARMYCIN AND CC-1065 | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-11-26 | — | — | WO | disclosed |
| WO-1997045411-A9 | ANALOGS OF CC-1065 AND THE DUOCARMYCINS | — | 1998-04-09 | — | — | WO | disclosed |
| WO-1997045411-A1 | ANALOGS OF CC-1065 AND THE DUOCARMYCINS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1997-12-04 | — | — | WO | disclosed |
| WO-1997032850-A1 | MCBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1997-09-12 | — | — | WO | disclosed |