Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 6/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9110982 | 0.88 | S1PR1 (0.59) | S1PR1ADRB3ADRB1ADRB2ADRA1D | |
| SCHEMBL9110306 | 0.80 | S1PR1 (0.62) | S1PR1ADRB3ADRB2 | |
| SCHEMBL9112789 | 0.79 | S1PR1 (0.48) | S1PR1ACACB | |
| SCHEMBL9112973 | 0.78 | S1PR1 (0.56) | S1PR1ADRB3ADRB1ADRB2HDAC1 | |
| SCHEMBL9109879 | 0.78 | S1PR1 (0.38) | S1PR1ADRB3ADRB1ADRB2ADRA1D | |
| SCHEMBL9110660 | 0.78 | S1PR1 (0.49) | S1PR1ACACB | |
| SCHEMBL9112310 | 0.78 | S1PR1 (0.46) | S1PR1HDAC1 | |
| SCHEMBL15695422 | 0.74 | S1PR1 (0.37) | S1PR1ADRB3ADRB1ADRB2 | |
| SCHEMBL9108553 | 0.72 | S1PR1 (0.48) | S1PR1 | |
| SCHEMBL15695418 | 0.72 | S1PR1 (0.35) | S1PR1ADRB3ADRB1ADRB2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2646405-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | Allergan, Inc. (US) | 2013-10-09 | — | — | EP | disclosed |
| US-8541397-B2 | Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators | ALLERGAN, INC. (US) | 2013-09-24 | — | — | US | disclosed |
| US-20130150331-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2013-06-13 | — | — | US | disclosed |
| US-8404663-B2 | Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators | ALLERGAN, INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-20120142640-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-07 | — | — | US | disclosed |
| WO-2012074921-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 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 (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-20130150331-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | S1PR1, S1PR3, S1PR2 | S1PR1 1/4885CTSL 2930/4885ACACB 1526/4885 |
| US-20120142640-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | S1PR1, S1PR3, S1PR2 | S1PR1 1/4885CTSL 2930/4885ACACB 1526/4885 |
“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.