Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL36222 | 1.00 | ALDH1A1 (0.61) | ALDH1A1LMNATRPA1ALOX5MAPK1 | |
| SCHEMBL28413174 | 0.85 | ALDH1A1 (0.65) | ALDH1A1LMNATRPA1ALOX5MAPK1 | |
| SCHEMBL113479 | 0.81 | ALDH1A1 (0.47) | ALDH1A1LMNATRPA1ALOX5MAPK1 | |
| SCHEMBL9997836 | 0.81 | ALDH1A1 (0.47) | ALDH1A1LMNATRPA1ALOX5MAPK1 | |
| SCHEMBL2225297 | 0.80 | ALDH1A1 (0.54) | ALDH1A1MAPK1HDAC1HDAC8HDAC3 | |
| SCHEMBL10609760 | 0.80 | ALDH1A1 (0.59) | ALDH1A1LMNATRPA1ALOX5MAPK1 | |
| Cinnamaldehyde SCHEMBL20912971 | 0.80 | ALDH1A1 (0.64) | ALDH1A1LMNATRPA1ALOX5MAPK1 | |
| Cinnamaldehyde SCHEMBL20912970 | 0.80 | ALDH1A1 (0.64) | ALDH1A1LMNATRPA1ALOX5MAPK1 | |
| SCHEMBL9998286 | 0.80 | ALDH1A1 (0.47) | ALDH1A1LMNATRPA1KDM4EMAPT | |
| SCHEMBL10609764 | 0.80 | ALDH1A1 (0.59) | ALDH1A1LMNATRPA1ALOX5MAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8513220-B2 | Aromatic compounds having sphingosine-1-phosphonate (S1P) receptor activity | ALLERGAN, INC. (US) | 2013-08-20 | — | — | US | disclosed |
| EP-2569322-A1 | AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY | Allergan, Inc. (US) | 2013-03-20 | — | — | EP | disclosed |
| US-20130018019-A1 | AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY | ALLERGAN, INC. (US) | 2013-01-17 | — | — | US | disclosed |
| WO-2011143332-A1 | AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY | ALLERGAN, INC. (US) | 2011-11-17 | — | — | WO | disclosed |
| US-20110281822-A1 | AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY | ALLERGAN, INC. (US) | 2011-11-17 | — | — | 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-20130018019-A1 | AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY | S1PR1, S1PR3, S1PR2 | ALDH1A1 2617/4885LMNA 3677/4885TRPA1 306/4885 |
| US-20110281822-A1 | AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY | S1PR1, S1PR3, S1PR2 | ALDH1A1 2617/4885LMNA 3677/4885TRPA1 306/4885 |
“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.