Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 8/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL9109421 | 1.00 | S1PR1 (0.47) | S1PR1CYP2D6KCNH2FOLH1HDAC3 | |
| SCHEMBL9110533 | 0.85 | S1PR1 (0.54) | S1PR1CYP2D6KCNH2 | |
| SCHEMBL9110528 | 0.85 | S1PR1 (0.54) | S1PR1CYP2D6KCNH2 | |
| SCHEMBL9109400 | 0.84 | NR1H4 (0.38) | CTSB | |
| SCHEMBL9109392 | 0.84 | NR1H4 (0.38) | CTSB | |
| SCHEMBL9110879 | 0.84 | NFE2L2 (0.35) | S1PR1CTSBEPHX2OPRM1 | |
| SCHEMBL9110889 | 0.84 | NFE2L2 (0.35) | S1PR1CTSBEPHX2OPRM1 | |
| SCHEMBL9106626 | 0.83 | NFE2L2 (0.36) | S1PR1CTSBEPHX2OPRM1 | |
| SCHEMBL9106619 | 0.83 | NFE2L2 (0.36) | S1PR1CTSBEPHX2OPRM1 | |
| SCHEMBL9105899 | 0.82 | KMT2A (0.42) | HDAC3HDAC1HDAC2HDAC8OPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2646405-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | Allergan, Inc. (US) | 2013-10-09 | — | — | EP | claimed |
| US-8541397-B2 | Alkyne and alkene derivatives as sphingosine 1-phosphate-1 receptor modulators | ALLERGAN, INC. (US) | 2013-09-24 | — | — | US | claimed |
| US-20130150331-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2013-06-13 | — | — | US | claimed |
| US-20120142640-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-07 | — | — | US | claimed |
| WO-2012074921-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-07 | — | — | WO | claimed |
| 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 1/4885CYP2D6 3259/4885KCNH2 2798/4885 |
| US-20120142640-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | S1PR1, S1PR3, S1PR2 | S1PR1 1/4885CYP2D6 3259/4885KCNH2 2798/4885 |
“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.