Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 3/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 5/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CTSV | O60911 | 3/20 | 0.36 |
| ▸ | CTSL | P07711 | 3/20 | 0.36 |
| ▸ | CTSS | P25774 | 3/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9106290 | 0.86 | S1PR1 (0.40) | CTSBS1PR1PNMTESR1ESR2 | |
| SCHEMBL9111187 | 0.83 | CTSB (0.40) | CTSBESR1ESR2ALDH1A1CYP1A2 | |
| SCHEMBL27938929 | 0.83 | CTSB (0.40) | CTSBPNMTESR1ESR2ALDH1A1 | |
| SCHEMBL9111995 | 0.81 | TAAR1 (0.42) | CTSBESR1ESR2KMT2A | |
| SCHEMBL28612550 | 0.81 | ESR1 (0.44) | CTSBPNMTESR1ESR2ALDH1A1 | |
| SCHEMBL30466966 | 0.81 | ESR1 (0.44) | CTSBPNMTESR1ESR2ALDH1A1 | |
| SCHEMBL15695422 | 0.77 | S1PR1 (0.37) | CTSBS1PR1PNMTADRB2ADRB1 | |
| SCHEMBL9109879 | 0.76 | S1PR1 (0.38) | CTSBS1PR1PNMTCYP1A2CYP2C19 | |
| SCHEMBL29061975 | 0.76 | HPGD (0.44) | PNMTALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL954629 | 0.76 | HPGD (0.44) | PNMTALDH1A1CYP1A2CYP3A4CYP2C19 |
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-8993553-B2 | Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators | ALLERGAN, INC. (US) | 2015-03-31 | — | — | US | disclosed |
| US-8993553-B2 | Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators | ALLERGAN, INC. (US) | 2015-03-31 | — | — | US | disclosed |
| US-8993553-B2 | Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators | ALLERGAN, INC. (US) | 2015-03-31 | — | — | US | disclosed |
| WO-2014078206-A1 | ALLENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2014-05-22 | — | — | WO | disclosed |
| WO-2014078206-A1 | ALLENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2014-05-22 | — | — | WO | disclosed |
| US-20140135293-A1 | ALLENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2014-05-15 | — | — | US | disclosed |
| US-20140135293-A1 | ALLENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2014-05-15 | — | — | US | disclosed |
| US-20140135293-A1 | ALLENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2014-05-15 | — | — | US | disclosed |
| US-20130310359-A1 | NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2013-11-21 | — | — | US | disclosed |
| US-20130310359-A1 | NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2013-11-21 | — | — | US | disclosed |
| EP-2646415-A1 | NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | Allergan, Inc. (US) | 2013-10-09 | — | — | EP | disclosed |
| US-8492561-B2 | Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators | ALLERGAN, INC. (US) | 2013-07-23 | — | — | US | disclosed |
| US-8492561-B2 | Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators | ALLERGAN, INC. (US) | 2013-07-23 | — | — | US | disclosed |
| US-8492561-B2 | Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators | ALLERGAN, INC. (US) | 2013-07-23 | — | — | US | disclosed |
| US-20120142662-A1 | NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-07 | — | — | US | disclosed |
| US-20120142662-A1 | NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-07 | — | — | US | disclosed |
| US-20120142662-A1 | NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-07 | — | — | US | disclosed |
| WO-2012074926-A1 | NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-07 | — | — | WO | disclosed |
| WO-2012074926-A1 | NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-07 | — | — | 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-20130310359-A1 | NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | S1PR1, S1PR2, S1PR5 | CTSB 2036/4885S1PR1 1/4885PNMT 2565/4885 |
| US-20140135293-A1 | ALLENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | S1PR1, S1PR2, S1PR3 | CTSB 1853/4885S1PR1 1/4885PNMT 3379/4885 |
| US-20120142662-A1 | NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | S1PR1, S1PR2, S1PR5 | CTSB 2036/4885S1PR1 1/4885PNMT 2565/4885 |
“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.