Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of F-Arag. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.60 |
| ▸ | NT5E | P21589 | 1/20 | 0.61 |
| ▸ | PDE2A | O00408 | 1/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.60 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.60 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | TGM2 | P21980 | 1/20 | 0.56 |
| ▸ | HINT1 | P49773 | 1/20 | 0.54 |
| ▸ | KRAS | P01116 | 6/20 | 0.53 |
| ▸ | PNP | P00491 | 2/20 | 0.53 |
| ▸ | CD99 | P14209 | 1/20 | 0.51 |
| ▸ | GSK3A | P49840 | 2/20 | 0.51 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.51 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.51 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.51 |
| ▸ | FUT5 | Q11128 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| F-Arag SCHEMBL12300492 | 0.96 | PDE2A (0.64) | NT5EPDE2AADORA3ADORA2AADORA1 | |
| F-Arag SCHEMBL16656455 | 0.96 | PDE2A (0.64) | NT5EPDE2AADORA3ADORA2AADORA1 | |
| F-Arag SCHEMBL9489885 | 0.96 | PDE2A (0.64) | NT5EPDE2AADORA3ADORA2AADORA1 | |
| F-Arag SCHEMBL35286 | 0.96 | PDE2A (0.64) | NT5EPDE2AADORA3ADORA2AADORA1 | |
| F-Arag SCHEMBL12150772 | 0.96 | PDE2A (0.64) | NT5EPDE2AADORA3ADORA2AADORA1 | |
| F-Arag SCHEMBL313467 | 0.96 | PDE2A (0.64) | NT5EPDE2AADORA3ADORA2AADORA1 | |
| F-Arag SCHEMBL20581034 | 0.96 | PDE2A (0.64) | NT5EPDE2AADORA3ADORA2AADORA1 | |
| F-Arag SCHEMBL21625251 | 0.96 | PDE2A (0.64) | NT5EPDE2AADORA3ADORA2AADORA1 | |
| F-Arag SCHEMBL236684 | 0.96 | PDE2A (0.64) | NT5EPDE2AADORA3ADORA2AADORA1 | |
| F-Arag SCHEMBL14163604 | 0.96 | PDE2A (0.64) | NT5EPDE2AADORA3ADORA2AADORA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230242569-A1 | PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS | THE SCRIPPS RESEARCH INSTITUTE | 2023-08-03 | — | — | US | disclosed |
| US-20230212204-A1 | REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS | THE SCRIPPS RESEARCH INSTITUTE | 2023-07-06 | — | — | US | disclosed |
| US-11613554-B2 | Phosphorous (V)-based reagents, processes for the preparation thereof, and their use in making stereo-defined organophoshorous (V) compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-03-28 | — | — | US | disclosed |
| WO-2021146391-A1 | REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C–P BONDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-07-22 | — | — | WO | disclosed |
| EP-3774824-A1 | NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS | Bristol-Myers Squibb Company (US) | 2021-02-17 | — | — | EP | disclosed |
| US-20190322694-A1 | NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS | THE SCRIPPS RESEARCH INSTITUTE | 2019-10-24 | — | — | US | disclosed |
| WO-2019200273-A1 | NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-10-17 | — | — | 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 (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-20230242569-A1 | PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS | PPIP5K2, INPP5B, PTMS | ADRA1A 4842/4885NT5E 472/4885PDE2A 3695/4885 |
| US-11613554-B2 | Phosphorous (V)-based reagents, processes for the preparation thereof, and their use in making stereo-defined organophoshorous (V) compounds | PPIP5K2, INPP5B, PTMS | ADRA1A 4842/4885NT5E 472/4885PDE2A 3695/4885 |
| US-20190322694-A1 | NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS | PPIP5K2, INPP5B, PTMS | ADRA1A 4833/4885NT5E 379/4885PDE2A 3206/4885 |
| US-20230212204-A1 | REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS | PNKP, POLL, RNGTT | ADRA1A 4295/4885NT5E 242/4885PDE2A 2957/4885 |
“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.