Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.31 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28431642 | 0.96 | ALDH1A1 (0.32) | ALDH1A1LMNAHSD17B10DGAT1FAAH | |
| SCHEMBL1688820 | 0.87 | ALDH1A1 (0.40) | ALDH1A1LMNAHSD17B10DGAT1FAAH | |
| SCHEMBL28024819 | 0.85 | ALDH1A1 (0.39) | ALDH1A1LMNAHSD17B10DGAT1FAAH | |
| SCHEMBL16812082 | 0.83 | ALDH1A1 (0.37) | ALDH1A1LMNAHSD17B10DGAT1FAAH | |
| SCHEMBL2648388 | 0.80 | DGAT1 (0.42) | DGAT1GAACYP2D6CA12CA14 | |
| SCHEMBL13500453 | 0.79 | ALDH1A1 (0.31) | ALDH1A1LMNADGAT1GAACYP2D6 | |
| SCHEMBL3821975 | 0.79 | DGAT1 (0.40) | HSD17B10DGAT1GAACYP2D6CA12 | |
| SCHEMBL8081769 | 0.79 | MGAM (0.50) | ALDH1A1LMNAHSD17B10FAAHGAA | |
| SCHEMBL2706963 | 0.78 | ALDH1A1 (0.48) | ALDH1A1LMNAHSD17B10FAAHGAA | |
| SCHEMBL10741434 | 0.77 | CA12 (0.37) | ALDH1A1LMNADGAT1CYP2D6CA12 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2844634-B1 | PROCESS FOR THE PREPARATION OF INTERMEDIATE COMPOUNDS FOR PREPARING VITAMIN B6 | DSM IP ASSETS BV (NL) | 2021-04-14 | — | — | EP | disclosed |
| EP-1581535-B3 | PYRROLOPYRIDAZINE DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2009-09-02 | — | — | EP | disclosed |
| EP-1581535-B9 | PYRROLOPYRIDAZINE DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2008-03-19 | — | — | EP | disclosed |
| US-7317009-B2 | Pyrrolopyridazine derivatives | ASTELLAS PHARMA INC. (JP) | 2008-01-08 | — | — | US | disclosed |
| EP-1581535-B1 | PYRROLOPYRIDAZINE DERIVATIVES | ASTELLAS PHARMA INC (JP) | 2007-10-24 | — | — | EP | disclosed |
| EP-1358144-B1 | EPOTHILONE SYNTHESIS COMPONENTS I: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE AND EPOTHILONE DERIVATIVES | R & D BIOPHARMACEUTICALS (DE) | 2006-12-27 | — | — | EP | disclosed |
| US-7153854-B2 | Pyrrolopyridazine derivatives | ASTELLAS PHARMA INC. (JP) | 2006-12-26 | — | — | US | disclosed |
| US-20060270678-A1 | Pyrrolopyridazine derivatives | ASTELLAS PHARMA INC. (JP) | 2006-11-30 | — | — | US | disclosed |
| EP-1581535-A1 | PYRROLOPYRIDAZINE DERIVATIVES | Astellas Pharma Inc. (JP) | 2005-10-05 | — | — | EP | disclosed |
| US-20050075342-A1 | Pyrrolopyridazine derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2005-04-07 | — | — | US | disclosed |
| US-6867333-B2 | EPOTHILONE SYNTHESIS BUILDING BLOCKS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHODS FOR THEIR PRODUCTION AND METHODS FOR THE PRODUCTION OF EPOTHILONES B, D AND EPOTHILONE DERIVATIVES | MORPHOCHEM AG (DE) | 2005-03-15 | — | — | US | disclosed |
| WO-2004063197-A1 | PYRROLOPYRIDAZINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-07-29 | — | — | WO | disclosed |
| US-20040082651-A1 | Epothilone synthesis building blocks III and IV: asymmetrically substituted acyloins and acyloin derivatives, methods for their production and methods for the production of epothilones B, D and epothilone derivatives | R & D BIOPHARMACEUTICALS GMBH (DE) | 2004-04-29 | — | — | US | disclosed |
| EP-1358144-A1 | EPOTHILONE SYNTHESIS COMPONENTS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE B, D AND EPOTHILONE DERIVATIVES | Morphochem AG (DE) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002032844-A2 | EPOTHILONE SYNTHESIS COMPONENTS III AND IV: ASYMMETRICALLY SUBSTITUTED ACYLOINS AND ACYLOIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND METHOD FOR THE PRODUCTION OF EPITHILONE B, D AND EPOTHILONE DERIVATIVES | MORPHOCHEM AG (DE) | 2002-04-25 | — | — | WO | disclosed |
| US-4188395-A | 1,4-Dihydropyridine derivatives substituted in the 2 position, and their use as medicaments | BAYER AKTIENGESELLSCHAFT (DE) | 1980-02-12 | — | — | 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 (3 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-20050075342-A1 | Pyrrolopyridazine derivatives | PDE4A, PDE5A, PDE12 | ALDH1A1 328/4885LMNA 3732/4885HSD17B10 2021/4885 |
| US-20060270678-A1 | Pyrrolopyridazine derivatives | PDE4A, PDE5A, PDE12 | ALDH1A1 328/4885LMNA 3732/4885HSD17B10 2021/4885 |
| US-20040082651-A1 | Epothilone synthesis building blocks III and IV: asymmetrically substituted acyloins and acyloin derivatives, methods for their production and methods for the production of epothilones B, D and epothilone derivatives | COASY, ACOX1, FDFT1 | ALDH1A1 1538/4885LMNA 3761/4885HSD17B10 37/4885 |
“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.