Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MGAM | O43451 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL409984 | 1.00 | NPSR1 (0.41) | NPSR1GLO1FAAHALDH1A1TRPA1 | |
| SCHEMBL7017915 | 0.86 | FAAH (0.51) | NPSR1GLO1FAAHALDH1A1CYP2D6 | |
| SCHEMBL3470193 | 0.83 | NPSR1 (0.43) | NPSR1GLO1ALDH1A1TRPA1CYP2D6 | |
| SCHEMBL28023887 | 0.81 | TAS1R3 (0.32) | ALDH1A1CYP2D6CYP2C19EGLN1CYP2C9 | |
| SCHEMBL1759140 | 0.81 | CYP2D6 (0.51) | NPSR1GLO1FAAHALDH1A1TRPA1 | |
| SCHEMBL13524364 | 0.81 | NPSR1 (0.42) | NPSR1GLO1ALDH1A1TRPA1CYP2D6 | |
| SCHEMBL14616293 | 0.81 | CYP2D6 (0.51) | NPSR1GLO1FAAHALDH1A1TRPA1 | |
| SCHEMBL7535763 | 0.81 | CYP2D6 (0.51) | NPSR1GLO1FAAHALDH1A1TRPA1 | |
| SCHEMBL13269405 | 0.78 | NPSR1 (0.54) | NPSR1GLO1FAAHALDH1A1CYP2D6 | |
| SCHEMBL2920460 | 0.78 | NPSR1 (0.54) | NPSR1GLO1FAAHALDH1A1CYP2D6 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8404672-B2 | Substituted heterocyclic compounds | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2013-03-26 | — | — | US | disclosed |
| US-8404672-B2 | Substituted heterocyclic compounds | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2013-03-26 | — | — | US | disclosed |
| US-8404672-B2 | Substituted heterocyclic compounds | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2013-03-26 | — | — | US | disclosed |
| US-8354398-B2 | Substituted isoxazole compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-15 | — | — | US | disclosed |
| US-8354398-B2 | Substituted isoxazole compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-15 | — | — | US | disclosed |
| US-8354398-B2 | Substituted isoxazole compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120022041-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-01-26 | — | — | US | disclosed |
| US-20120022041-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-01-26 | — | — | US | disclosed |
| US-20120022041-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-01-26 | — | — | US | disclosed |
| US-20110300165-A1 | SUBSTITUTED ISOXAZOLE COMPOUNDS | The Board of TRustees of the University of Illinoi University of Illinios (US) | 2011-12-08 | — | — | US | disclosed |
| US-20110300165-A1 | SUBSTITUTED ISOXAZOLE COMPOUNDS | The Board of TRustees of the University of Illinoi University of Illinios (US) | 2011-12-08 | — | — | US | disclosed |
| US-20110300165-A1 | SUBSTITUTED ISOXAZOLE COMPOUNDS | The Board of TRustees of the University of Illinoi University of Illinios (US) | 2011-12-08 | — | — | US | disclosed |
| EP-2389377-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | Bristol-Myers Squibb Company (US) | 2011-11-30 | — | — | EP | disclosed |
| EP-2382212-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | Bristol-Myers Squibb Company (US) | 2011-11-02 | — | — | EP | disclosed |
| US-8038731-B2 | hair dyes contains naphthylimide thiol or disulphide groups; resistant and visible lightening effect on dark keratin fibres; cosmetics | L'OREAL S.A. (FR) | 2011-10-18 | — | — | US | disclosed |
| WO-2010085581-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-29 | — | — | WO | disclosed |
| WO-2010085581-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-29 | — | — | WO | disclosed |
| WO-2010085582-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-29 | — | — | WO | disclosed |
| WO-2010085582-A1 | SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-29 | — | — | 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 (2 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-20110300165-A1 | SUBSTITUTED ISOXAZOLE COMPOUNDS | S1PR4, S1PR3, S1PR1 | NPSR1 218/4885GLO1 4454/4885FAAH 1085/4885 |
| US-20120022041-A1 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | S1PR1, S1PR4, S1PR3 | NPSR1 119/4885GLO1 3847/4885FAAH 584/4885 |
“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.