Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | CASR | P41180 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9111043 | 0.87 | TAAR1 (0.42) | TAAR1CASRADORA2AADORA1AOC3 | |
| SCHEMBL620934 | 0.83 | CASR (0.52) | TAAR1CASRKMT2AMAOB | |
| SCHEMBL9107787 | 0.81 | CTSB (0.40) | KMT2ACTSBESR1ESR2 | |
| SCHEMBL9111187 | 0.81 | CTSB (0.40) | KMT2ACTSBAOC3ESR1ESR2 | |
| SCHEMBL9112568 | 0.77 | NPC1 (0.37) | TAAR1CASRADORA2AADORA1AOC3 | |
| SCHEMBL7652207 | 0.77 | KMT2A (0.49) | TAAR1CASRKMT2AAOC3L3MBTL1 | |
| SCHEMBL29061992 | 0.77 | KMT2A (0.49) | TAAR1CASRKMT2AAOC3L3MBTL1 | |
| SCHEMBL9112140 | 0.76 | CHRM2 (0.45) | TAAR1CASRADORA2AADORA1AOC3 | |
| SCHEMBL9230540 | 0.76 | KMT2A (0.48) | TAAR1CASRKMT2AAOC3L3MBTL1 | |
| SCHEMBL9230531 | 0.76 | KMT2A (0.51) | CASRKMT2AAOC3L3MBTL1 |
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 | TAAR1 201/4885CASR 71/4885KMT2A 4162/4885 |
| US-20120142640-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | S1PR1, S1PR3, S1PR2 | TAAR1 201/4885CASR 71/4885KMT2A 4162/4885 |
“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.