Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UPP1 | Q16831 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 3/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.32 |
| ▸ | ESR1 | P03372 | 4/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.32 |
| ▸ | SNCA | P37840 | 1/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.31 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2122013 | 0.86 | UPP1 (0.33) | UPP1XDHSLC22A12ESR1ESR2 | |
| SCHEMBL19631289 | 0.84 | IMPDH2 (0.34) | IMPDH2IMPDH1CYP19A1ALDH1A1GAA | |
| SCHEMBL9483980 | 0.81 | IDO1 (0.39) | SNCAKCNA3ALDH1A1MAPTHPGD | |
| SCHEMBL24947172 | 0.77 | IMPDH2 (0.31) | IMPDH2IMPDH1CYP19A1 | |
| SCHEMBL13453307 | 0.77 | TSHR (0.38) | IMPDH2IMPDH1CYP19A1ALDH1A1GAA | |
| SCHEMBL24947171 | 0.77 | CYP19A1 (0.36) | IMPDH2IMPDH1CYP19A1ALDH1A1GAA | |
| SCHEMBL29558949 | 0.77 | CYP19A1 (0.36) | IMPDH2IMPDH1CYP19A1ALDH1A1GAA | |
| SCHEMBL24947173 | 0.74 | CYP19A1 (0.32) | CYP19A1 | |
| SCHEMBL24947197 | 0.73 | CYP19A1 (0.36) | CYP19A1 | |
| SCHEMBL2122119 | 0.73 | IMPDH2 (0.54) | KCNA3MAOAMAOBIMPDH2IMPDH1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015163936-A1 | BICYCLIC DERIVATIVES AS SPHINGOSINE-1 -PHOSPHATE RECEPTORS MODULATORS | ALLERGAN, INC. (US) | 2015-10-29 | — | — | WO | disclosed |
| US-8946195-B2 | Bicyclic methyl amine derivatives as sphingosine-1 phosphate receptors modulators | ALLERGAN, INC. (US) | 2015-02-03 | — | — | US | disclosed |
| US-20140206652-A1 | BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS | ALLERGAN, INC. (US) | 2014-07-24 | — | — | US | disclosed |
| US-8716267-B2 | Bicyclic methyl amine derivatives as sphingosine-1 phosphate receptors modulators | ALLERGAN, INC. (US) | 2014-05-06 | — | — | US | disclosed |
| US-20120264718-A1 | BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS | ALLERGAN, INC. | 2012-10-18 | — | — | US | disclosed |
| US-20120101124-A1 | 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2012-04-26 | — | — | US | disclosed |
| US-20120101124-A1 | 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2012-04-26 | — | — | US | disclosed |
| US-20120101124-A1 | 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2012-04-26 | — | — | US | disclosed |
| EP-2443111-A1 | 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS | Glaxo Group Limited (GB) | 2012-04-25 | — | — | EP | disclosed |
| WO-2010145203-A1 | 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010145203-A1 | 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2010-12-23 | — | — | 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-20120101124-A1 | 1,2,4-OXADIAZOL DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS SPHINGOSINE 1-PHOSPHATE 1 RECEPTOR AGONISTS | S1PR1, S1PR3, S1PR2 | UPP1 1547/4885XDH 2092/4885SLC22A12 3671/4885 |
| US-20140206652-A1 | BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS | S1PR1, S1PR3, S1PR2 | UPP1 1704/4885XDH 3686/4885SLC22A12 3795/4885 |
| US-20120264718-A1 | BICYCLIC METHYL AMINE DERIVATIVES AS SPHINGOSINE-1 PHOSPHATE RECEPTORS MODULATORS | S1PR1, S1PR3, S1PR2 | UPP1 1704/4885XDH 3686/4885SLC22A12 3795/4885 |
“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.