Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MYLK | Q15746 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23464924 | 0.84 | KMT2A (0.38) | KMT2ACYP2D6MEN1TSHRCYP2C19 | |
| SCHEMBL8044173 | 0.82 | FKBP1A (0.41) | KDM4EALDH1A1KMT2ATSHRUSP2 | |
| SCHEMBL8084486 | 0.82 | GAA (0.39) | ALDH1A1KMT2AMEN1TSHR | |
| SCHEMBL13956959 | 0.80 | FKBP1A (0.44) | KDM4EKMT2ATSHRUSP2 | |
| SCHEMBL4670988 | 0.77 | CA14 (0.50) | KDM4ECHRM5CHRM3ALDH1A1KMT2A | |
| SCHEMBL4670986 | 0.77 | CA14 (0.50) | KDM4ECHRM5CHRM3ALDH1A1KMT2A | |
| SCHEMBL7920915 | 0.77 | POLB (0.37) | ALDH1A1KMT2AMEN1TSHRNPSR1 | |
| SCHEMBL1022600 | 0.76 | KDM4E (0.46) | KDM4EMAPTALDH1A1CYP1A2KMT2A | |
| SCHEMBL2758659 | 0.75 | GAA (0.43) | KMT2ACYP3A4CYP2D6MEN1LMNA | |
| SCHEMBL7916527 | 0.75 | CA12 (0.48) | ALDH1A1TSHR |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020073011-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY | ANNAPURNA BIO, INC. (US) | 2020-04-09 | — | — | WO | disclosed |
| WO-2015017393-A2 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-02-05 | — | — | WO | disclosed |
| WO-2015013835-A1 | PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-02-05 | — | — | WO | disclosed |
| EP-1807423-B1 | QUINOLINONE-CARBOXAMIDE COMPOUNDS | THERAVANCE INC (US) | 2009-05-20 | — | — | EP | disclosed |
| US-7498442-B2 | Quinolinone-carboxamide compounds | THERAVANCE, INC. (US) | 2009-03-03 | — | — | US | disclosed |
| US-20080167295-A1 | Containing a nortropane ring, e.g., 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[2-hydroxy-3-(4-methanesulfonylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; 5-HT4 receptor agonists | THERAVANCE BIOPHARMA R&D IP, LLC | 2008-07-10 | — | — | US | disclosed |
| US-7396933-B2 | Quinolinone-carboxamide compounds | THERAVANCE, INC. (US) | 2008-07-08 | — | — | US | disclosed |
| EP-1807423-A2 | QUINOLINONE-CARBOXAMIDE COMPOUNDS | Theravance, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006052889-A2 | QUINOLINONE-CARBOXAMIDE COMPOUNDS | THERAVANCE, INC. (US) | 2006-05-18 | — | — | WO | disclosed |
| US-20060100426-A1 | Quinolinone-carboxamide compounds | THERAVANCE, INC. | 2006-05-11 | — | — | US | 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 (2 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-20080167295-A1 | Containing a nortropane ring, e.g., 1-isopropyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid {(1S,3R,5R)-8-[2-hydroxy-3-(4-methanesulfonylpiperazin-1-yl)propyl]-8-azabicyclo[3.2.1]oct-3-yl}amide; 5-HT4 receptor agonists | HTR5A, HTR4, HTR1A | KDM4E 1340/4885CHRM5 127/4885CHRM3 146/4885 |
| US-20060100426-A1 | Quinolinone-carboxamide compounds | HTR4, HTR5A, HTR2C | KDM4E 1306/4885CHRM5 173/4885CHRM3 168/4885 |
“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.