Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.32 |
| ▸ | PSMB5 | P28074 | 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 | |
|---|---|---|---|---|
| SCHEMBL15695424 | 0.87 | ESR1 (0.41) | ESR1ESR2CTSBPSMB8PSMB5 | |
| SCHEMBL9111187 | 0.86 | CTSB (0.40) | ESR1ESR2CTSBAOC3EPHX2 | |
| SCHEMBL9110842 | 0.86 | ESR1 (0.41) | ESR1ESR2CTSBAOC3ACHE | |
| SCHEMBL9106290 | 0.83 | S1PR1 (0.40) | ESR1ESR2CTSBAOC3 | |
| SCHEMBL9111043 | 0.81 | TAAR1 (0.42) | AOC3 | |
| SCHEMBL9108230 | 0.75 | CTSB (0.36) | CTSBSLC1A1EPHX2OPRM1OPRL1 | |
| SCHEMBL9107633 | 0.74 | SLC1A1 (0.44) | CTSBSLC1A1EPHX2CNR2PSMB8 | |
| SCHEMBL15695414 | 0.72 | ESR2 (0.41) | ESR1ESR2CTSBPSMB8PSMB5 | |
| SCHEMBL27789765 | 0.72 | HDAC4 (0.38) | AOC3CNR2 | |
| SCHEMBL16854730 | 0.71 | OPRM1 (0.40) | AOC3OPRM1OPRL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014126932-A1 | ALKYNE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2014-08-21 | — | — | WO | disclosed |
| US-20140228445-A1 | ALKYNE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2014-08-14 | — | — | US | disclosed |
| US-20140228445-A1 | ALKYNE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2014-08-14 | — | — | US | disclosed |
| US-20140228445-A1 | ALKYNE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2014-08-14 | — | — | US | 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 (1 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-20140228445-A1 | ALKYNE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | S1PR1, S1PR3, S1PR2 | ESR1 1690/4885ESR2 891/4885CTSB 2261/4885 |
“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.