Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.39 |
| ▸ | ESR1 | P03372 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15695414 | 0.87 | ESR2 (0.41) | CTSBESR2ESR1ALDH1A1KMT2A | |
| SCHEMBL15939879 | 0.86 | ESR1 (0.39) | CTSBESR2ESR1AOC3EPHX2 | |
| SCHEMBL9107787 | 0.83 | CTSB (0.40) | CTSBESR2ESR1ALDH1A1KMT2A | |
| SCHEMBL27938930 | 0.83 | CTSB (0.38) | CTSBESR2ESR1ALDH1A1KMT2A | |
| SCHEMBL9111995 | 0.81 | TAAR1 (0.42) | CTSBESR2ESR1KMT2AAOC3 | |
| SCHEMBL29061977 | 0.76 | AOC3 (0.40) | KMT2AAOC3 | |
| SCHEMBL954467 | 0.76 | AOC3 (0.40) | KMT2AAOC3 | |
| SCHEMBL9108230 | 0.75 | CTSB (0.36) | CTSBEPHX2 | |
| SCHEMBL9107633 | 0.74 | SLC1A1 (0.44) | CTSBKMT2AMEN1EPHX2 | |
| SCHEMBL15695424 | 0.72 | ESR1 (0.41) | CTSBESR2ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8993553-B2 | Azetidine derivatives as sphingosine 1-phosphate (S1P) receptor modulators | ALLERGAN, INC. (US) | 2015-03-31 | — | — | 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 (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-20130310359-A1 | NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | S1PR1, S1PR2, S1PR5 | CTSB 2036/4885ESR2 1795/4885ESR1 2074/4885 |
| US-20120142662-A1 | NOVEL AZETIDINE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS | S1PR1, S1PR2, S1PR5 | CTSB 2036/4885ESR2 1795/4885ESR1 2074/4885 |
“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.