Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28007758 | 0.80 | CES2 (0.46) | CES2CES1SRCTRPA1ALDH1A1 | |
| SCHEMBL2043253 | 0.78 | HTR6 (0.42) | CES2CES1SRCTRPA1KEAP1 | |
| SCHEMBL7616312 | 0.76 | CES2 (0.43) | CES2CES1SRCTRPA1ALDH1A1 | |
| SCHEMBL819788 | 0.76 | SRC (0.54) | CES2CES1SRCTRPA1ALDH1A1 | |
| SCHEMBL7790529 | 0.76 | SRC (0.43) | CES2CES1SRCTRPA1ALDH1A1 | |
| SCHEMBL1049738 | 0.76 | KMT2A (0.39) | CES2CES1SRCTRPA1ALDH1A1 | |
| SCHEMBL1272692 | 0.75 | CYP2C19 (0.48) | SRCTRPA1KEAP1ALDH1A1KDM4E | |
| SCHEMBL16604556 | 0.75 | SRC (0.41) | SRCKEAP1ALDH1A1KDM4EGMNN | |
| SCHEMBL2020687 | 0.75 | ALDH1A1 (0.44) | SRCTRPA1KEAP1ALDH1A1KDM4E | |
| SCHEMBL9197961 | 0.74 | HTR6 (0.44) | CES2CES1SRCTRPA1ALDH1A1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200299280-A1 | PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS | ORION CORP (FI) | 2020-09-24 | — | — | US | disclosed |
| US-10717726-B2 | Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors | ORION CORPORATION (FI) | 2020-07-21 | — | — | US | disclosed |
| EP-3558981-A1 | PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS | Orion Corporation (FI) | 2019-10-30 | — | — | EP | disclosed |
| EP-3510040-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | Calithera Biosciences, Inc. (US) | 2019-07-17 | — | — | EP | disclosed |
| WO-2018115591-A1 | PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS | ORION CORPORATION (FI) | 2018-06-28 | — | — | WO | disclosed |
| WO-2018049145-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | CALITHERA BIOSCIENCES, INC. (US) | 2018-03-15 | — | — | WO | disclosed |
| EP-2925408-A1 | SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 | F. Hoffmann-La Roche AG (CH) | 2015-10-07 | — | — | EP | disclosed |
| WO-2014086667-A1 | SUBSTITUTED ISOXAZOLE AMINE COMPOUNDS AS INHIBITORS OF SCD1 | F. HOFFMANN-LA ROCHE AG (CH) | 2014-06-12 | — | — | WO | disclosed |
| EP-2454243-A2 | TETRAZOLE DERIVATIVES | Merck Serono SA (CH) | 2012-05-23 | — | — | EP | disclosed |
| US-20120115869-A1 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2012-05-10 | — | — | US | disclosed |
| US-8022062-B2 | 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists | ELI LILLY AND COMPANY (US) | 2011-09-20 | — | — | US | disclosed |
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |
| US-20090099155-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | ARRAY BIOPHARMA, INC. | 2009-04-16 | — | — | US | disclosed |
| EP-1805147-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-07-11 | — | — | EP | disclosed |
| EP-1699781-A1 | 1-ACETIC ACID-INDOLE, -INDAZOLE AND -BENZIMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RESPIRATORY DISORDERS | AstraZeneca AB (SE) | 2006-09-13 | — | — | EP | disclosed |
| WO-2006039243-A1 | NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-04-13 | — | — | WO | disclosed |
| WO-2005054232-A1 | 1-ACETIC ACID-INDOLE, -INDAZOLE AND-BENZIMIDAZOLE DERIVATIVES USFUL FOR THE TREATMENT OF RESPIRATORY DISORDERS | ASTRAZENECA AB (SE) | 2005-06-16 | — | — | WO | disclosed |
| US-4118561-A | ANTIBACTERIAL, SYNERGISTIC, ANTI-CANCER ACTIVITY, ANTI-FOLIC ACID ACTIVITY | AMERICAN HOME PRODUCTS CORPORATION (US) | 1978-10-03 | — | — | 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 (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-20090099155-A1 | 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS | HTR2C, HTR5A, HTR4 | CES2 984/4885CES1 2724/4885SRC 2860/4885 |
| US-20120115869-A1 | TETRAZOLE DERIVATIVES | TSLP, IL5, CMA1 | CES2 2261/4885CES1 1265/4885SRC 3758/4885 |
| US-10717726-B2 | Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors | CYP11B1, CYP11B2, CYP4A11 | CES2 1975/4885CES1 186/4885SRC 1443/4885 |
| US-20200299280-A1 | PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS | CYP11B1, CYP11B2, CYP4A11 | CES2 1975/4885CES1 186/4885SRC 1443/4885 |
“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.