Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.44 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 8/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL9108230 | 0.83 | CTSB (0.36) | S1PR1CTSB | |
| SCHEMBL27920366 | 0.83 | PNMT (0.38) | PNMTADRB3ADRB1SLC2A1CTSB | |
| SCHEMBL9112140 | 0.81 | CHRM2 (0.45) | — | |
| SCHEMBL9909350 | 0.78 | S1PR1 (0.43) | S1PR1PNMTADRB3ADRB1SLC2A1 | |
| SCHEMBL9104383 | 0.77 | S1PR1 (0.46) | S1PR1PNMTADRB3ADRB1SLC2A1 | |
| SCHEMBL9101178 | 0.77 | MEN1 (0.52) | S1PR1ADRB3ADRB1CTSBADRB2 | |
| SCHEMBL27506218 | 0.76 | ACP3 (0.40) | PNMT | |
| SCHEMBL16468984 | 0.75 | S1PR1 (0.56) | S1PR1PNMTADRB3ADRB1SLC2A1 | |
| SCHEMBL16468959 | 0.75 | S1PR1 (0.56) | S1PR1PNMTADRB3ADRB1SLC2A1 | |
| SCHEMBL16469218 | 0.75 | S1PR1 (0.56) | S1PR1PNMTADRB3ADRB1SLC2A1 |
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-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 |
| 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 |
| 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-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 |
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 | S1PR1 1/4885PNMT 2565/4885ADRB3 177/4885 |
| US-20140135293-A1 | ALLENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | S1PR1, S1PR2, S1PR3 | S1PR1 1/4885PNMT 3379/4885ADRB3 198/4885 |
| US-20120142662-A1 | NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | S1PR1, S1PR2, S1PR5 | S1PR1 1/4885PNMT 2565/4885ADRB3 177/4885 |
“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.