Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL13233209 | 0.96 | ESR1 (0.46) | ESR1ESR2GPR84ADORA2AADORA1 | |
| SCHEMBL3418568 | 0.86 | CYP19A1 (0.44) | ESR1ESR2GPR84ADORA2AADORA1 | |
| SCHEMBL25024158 | 0.84 | MAPT (0.39) | GPR84ADORA2AADORA1PTPN1CA2 | |
| SCHEMBL29213977 | 0.84 | PTPN1 (0.42) | ESR1ESR2ADORA2AADORA1HSD17B1 | |
| SCHEMBL25634034 | 0.83 | MAPT (0.39) | GPR84ADORA2AADORA1CYP1A2CYP2D6 | |
| SCHEMBL31538684 | 0.82 | CA2 (0.47) | ESR1ESR2ADORA2AADORA1PTPN1 | |
| SCHEMBL29560409 | 0.82 | MAPT (0.49) | ADORA2AADORA1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL25040047 | 0.82 | CA2 (0.47) | ESR1ESR2ADORA2AADORA1PTPN1 | |
| SCHEMBL635407 | 0.82 | MAPT (0.49) | ADORA2AADORA1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14506139 | 0.82 | CA2 (0.47) | ESR1ESR2ADORA2AADORA1PTPN1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8053604-B2 | Process for preparation of diphosphine compounds and intermediates for the process | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-11-08 | — | — | US | disclosed |
| US-20100125153-A1 | PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS | SPERA PHARMA, INC. (JP) | 2010-05-20 | — | — | US | disclosed |
| US-7678942-B2 | Process for preparation of diphosphine compounds and intermediates for the process | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-03-16 | — | — | US | disclosed |
| EP-1452537-B1 | PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS | TAKEDA PHARMACEUTICAL (JP) | 2009-08-05 | — | — | EP | disclosed |
| US-20070161805-A1 | Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease | SPERA PHARMA, INC. (JP) | 2007-07-12 | — | — | US | disclosed |
| US-7208633-B2 | Process for preparation of diphosphine compounds and intermediates for the process | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-04-24 | — | — | US | disclosed |
| US-20050027124-A1 | Process for preparation of diphosphine compounds and intermediates for the process | SPERA PHARMA, INC. (JP) | 2005-02-03 | — | — | US | disclosed |
| EP-1452537-A1 | PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS | Takeda Chemical Industries, Ltd. (JP) | 2004-09-01 | — | — | EP | 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-20100125153-A1 | PROCESS FOR PREPARATION OF DIPHOSPHINE COMPOUNDS AND INTERMEDIATES FOR THE PROCESS | H1-10, ITPA, RER1 | ESR1 1917/4885ESR2 3211/4885GPR84 4016/4885 |
| US-20070161805-A1 | Phosphine-borane complex enantiomorph compounds produced in solvents and in the presence of nickel catalysts; useful for asymmetric synthesis of compounds useful as drug for prophylaxis or treatment of increased urinary frequency or urinary incontinence, Alzheimer's disease | BACE1, H1-10, PRMT1 | ESR1 130/4885ESR2 388/4885GPR84 2312/4885 |
| US-20050027124-A1 | Process for preparation of diphosphine compounds and intermediates for the process | H1-10, ITPA, RER1 | ESR1 1953/4885ESR2 3237/4885GPR84 4051/4885 |
“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.