Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | CASR | P41180 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5564914 | 1.00 | HSD17B10 (0.44) | HSD17B10APAF1CYP3A4LMNACHRM2 | |
| SCHEMBL834442 | 1.00 | HSD17B10 (0.44) | HSD17B10APAF1CYP3A4LMNACHRM2 | |
| SCHEMBL6696454 | 0.78 | GAA (0.48) | HSD17B10CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5566177 | 0.78 | SMN1; SMN2 (0.46) | LMNACYP1A2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL5561505 | 0.78 | HTT (0.46) | CYP3A4LMNACYP2D6CYP2C19MEN1 | |
| SCHEMBL5565846 | 0.78 | SMN1; SMN2 (0.46) | LMNACYP1A2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL5561034 | 0.78 | SMN1; SMN2 (0.46) | LMNACYP1A2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL4480477 | 0.78 | ESR1 (0.48) | CYP3A4LMNACHRM2HTR1AADORA3 | |
| SCHEMBL27771932 | 0.78 | HTT (0.46) | CYP3A4LMNACYP2D6CYP2C19MEN1 | |
| SCHEMBL2243713 | 0.77 | TRPA1 (0.46) | HSD17B10APAF1CYP3A4LMNACHRM2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | claimed |
| US-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | claimed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | claimed |
| US-20110065938-A1 | METHOD FOR THE PREPARATION OF ESCITALOPRAM | H. LUNDBECK A/S (DK) | 2011-03-17 | — | — | US | disclosed |
| WO-2008062468-A2 | PROCESS FOR THE PREPARATION OF OPTICALLY PURE INDENO [5,4-B] FURAN DERIVATIVES | CADILA HEALTHCARE LIMITED (IN) | 2008-05-29 | — | — | WO | disclosed |
| US-7217794-B2 | Compounds and methods for treatment of thrombosis | DAIAMED, INC. (US) | 2007-05-15 | — | — | US | disclosed |
| US-20050143317-A1 | Compounds and methods for treatment of thrombosis | EXITHERA PHARMACEUTICALS LLC | 2005-06-30 | — | — | US | disclosed |
| US-20050065207-A1 | Method for the preparation of escitalopram | H. LUNDBECK A/S (DK) | 2005-03-24 | — | — | US | disclosed |
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | disclosed |
| US-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | 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 (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-20050143317-A1 | Compounds and methods for treatment of thrombosis | SERPINC1, F11, F13B | HSD17B10 1892/4885APAF1 59/4885CYP3A4 964/4885 |
| US-20110065938-A1 | METHOD FOR THE PREPARATION OF ESCITALOPRAM | GSK3B, GSK3A, SLC6A4 | HSD17B10 177/4885APAF1 4675/4885CYP3A4 38/4885 |
| US-20050065207-A1 | Method for the preparation of escitalopram | SLC6A4, GSK3B, GSK3A | HSD17B10 172/4885APAF1 4806/4885CYP3A4 42/4885 |
“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.