Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 6/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2276663 | 0.98 | HRH1 (0.40) | HRH1HTR2ACYP2D6CYP3A4NPC1 | |
| SCHEMBL6516873 | 0.84 | MAOA (0.41) | HRH1HTR2ACYP2D6CHRM2CHRM4 | |
| SCHEMBL27518334 | 0.79 | HSD11B1 (0.45) | CHRM2CHRM4HTR1ACHRM5ADRA2A | |
| SCHEMBL10928781 | 0.78 | MAOA (0.36) | HRH1CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL20922751 | 0.74 | HRH1 (0.51) | HRH1HTR2ACYP2D6CYP1A2CHRM2 | |
| SCHEMBL27485969 | 0.73 | PNMT (0.39) | NPC1LMNACHRM2CHRM4CHRM5 | |
| SCHEMBL10773270 | 0.70 | MAOA (0.43) | NPC1LMNACYP1A2CHRM2HTR1A | |
| SCHEMBL5027873 | 0.69 | MAOA (0.46) | NPC1LMNACYP1A2CHRM2HTR1A | |
| SCHEMBL29795069 | 0.69 | MAOA (0.46) | NPC1LMNACYP1A2CHRM2HTR1A | |
| SCHEMBL10929589 | 0.68 | TAAR1 (0.50) | CYP2D6LMNACYP1A2ADRA2ATSHR |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1575951-B1 | HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY | DEBIOPHARM INT SA (CH) | 2014-06-25 | — | — | EP | disclosed |
| US-20120010127-A1 | Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same | BERMAN JUDD M (CA) | 2012-01-12 | — | — | US | disclosed |
| US-20110124633-A1 | Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy | BERMAN JUDD | 2011-05-26 | — | — | US | disclosed |
| US-7879872-B2 | comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2011-02-01 | — | — | US | disclosed |
| US-7790709-B2 | inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2010-09-07 | — | — | US | disclosed |
| EP-1608377-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS | AFFINIUM PHARM INC (CA) | 2008-10-01 | — | — | EP | disclosed |
| US-20060183908-A1 | inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2006-08-17 | — | — | US | disclosed |
| US-20060142265-A1 | Compositions comprising multiple bioactive agents, and methods of using the same | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2006-06-29 | — | — | US | disclosed |
| EP-1608377-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS | Affinium Pharmaceuticals, Inc. (CA) | 2005-12-28 | — | — | EP | disclosed |
| EP-1575951-A1 | HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY | Affinium Pharmaceuticals, Inc. (CA) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004082586-A2 | PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS | AFFINIUM PHARMACEUTICALS, INC. (US) | 2004-09-30 | — | — | WO | disclosed |
| WO-2004052890-A1 | HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2004-06-24 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060183908-A1 | inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics | AADAC, AZI2, DCXR | HRH1 2108/4885HTR2A 1545/4885CYP2D6 62/4885 |
| US-20110124633-A1 | Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy | NQO1, AADAC, SDHA | HRH1 1457/4885HTR2A 2553/4885CYP2D6 170/4885 |
| US-20120010127-A1 | Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same | DBI, SERPINB1, CTSF | HRH1 4158/4885HTR2A 4841/4885CYP2D6 4282/4885 |
| US-20060142265-A1 | Compositions comprising multiple bioactive agents, and methods of using the same | DBI, SERPINB1, CTSF | HRH1 4158/4885HTR2A 4841/4885CYP2D6 4282/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.