Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL69571 | 0.79 | NFE2L2 (0.36) | HDAC6PTGS2KDM4EALDH1A1MAPT | |
| SCHEMBL29377776 | 0.79 | NFE2L2 (0.36) | HDAC6PTGS2KDM4EALDH1A1MAPT | |
| SCHEMBL4554960 | 0.79 | — | — | |
| SCHEMBL45935 | 0.79 | DEGS1 (0.35) | PTGS1 | |
| SCHEMBL14553395 | 0.76 | KDM4E (0.34) | KDM4EGAASMN1; SMN2LMNAHTT | |
| SCHEMBL26504194 | 0.76 | CCR6 (0.37) | HDAC6KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL15944537 | 0.74 | NFE2L2 (0.33) | HDAC6KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL15557360 | 0.72 | ALDH1A1 (0.50) | PTGS2KDM4EALDH1A1GAAMAPT | |
| SCHEMBL2199940 | 0.72 | CA9 (0.47) | PTGS2CA1CA2CA5ACA9 | |
| SCHEMBL29443546 | 0.71 | ALDH1A1 (0.41) | HDAC6KDM4EALDH1A1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-8716267-B2 | Bicyclic methyl amine derivatives as sphingosine-1 phosphate receptors modulators | ALLERGAN, INC. (US) | 2014-05-06 | — | — | US | disclosed |
| US-8178560-B2 | Therapeutic agents useful for treating pain | PURDUE PHARMA L.P. (US) | 2012-05-15 | — | — | US | disclosed |
| US-20110281822-A1 | AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY | ALLERGAN, INC. (US) | 2011-11-17 | — | — | US | disclosed |
| US-20100331369-A1 | Therapeutic Agents Useful for Treating Pain | PURDUE PHARMA L.P. (US) | 2010-12-30 | — | — | 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-20100331369-A1 | Therapeutic Agents Useful for Treating Pain | GRIN1, GRIK1, GRIN2B | HDAC6 196/4885CCR1 717/4885CCR5 2855/4885 |
| US-20110281822-A1 | AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY | S1PR1, S1PR3, S1PR2 | HDAC6 2794/4885CCR1 321/4885CCR5 435/4885 |
“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.