Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | GPR183 | P32249 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9908211 | 0.88 | MAOB (0.44) | MAPTMEN1KMT2AALDH1A1GPR183 | |
| SCHEMBL2605622 | 0.72 | ALDH1A1 (0.68) | CYP2C19CYP3A4CYP2C9MAPTMEN1 | |
| SCHEMBL28649356 | 0.72 | ALDH1A1 (0.68) | CYP2C19CYP3A4CYP2C9MAPTMEN1 | |
| SCHEMBL14267407 | 0.72 | ALDH1A1 (0.68) | CYP2C19CYP3A4CYP2C9MAPTMEN1 | |
| SCHEMBL6760777 | 0.72 | ALDH1A1 (0.68) | CYP2C19CYP3A4CYP2C9MAPTMEN1 | |
| SCHEMBL1194770 | 0.71 | ALDH1A1 (0.41) | CYP2C19CYP3A4CYP2C9MAPTMEN1 | |
| SCHEMBL30040818 | 0.70 | ALDH1A1 (0.48) | CYP2C19CYP3A4CYP2C9MAPTMEN1 | |
| SCHEMBL3818629 | 0.70 | MEN1 (0.37) | CYP2C19MEN1KMT2AMAOAMAOB | |
| SCHEMBL2622599 | 0.68 | ALDH1A1 (0.62) | CYP2C19CYP3A4CYP2C9MAPTMEN1 | |
| SCHEMBL3954754 | 0.67 | CYP1A1 (0.59) | CYP2C19CYP3A4CYP2C9MAPTMEN1 |
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-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-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-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 |
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 | CYP2C19 3908/4885CYP3A4 3252/4885CYP2C9 4402/4885 |
| US-20120142640-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | S1PR1, S1PR3, S1PR2 | CYP2C19 3908/4885CYP3A4 3252/4885CYP2C9 4402/4885 |
“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.