Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 3/20 | 0.41 |
| ▸ | PELI1 | Q96FA3 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29671482 | 0.96 | ALDH1A1 (0.50) | ALDH1A1CYP2A6KDM4EMEN1NPC1 | |
| SCHEMBL5490742 | 0.96 | ALDH1A1 (0.50) | ALDH1A1CYP2A6KDM4EMEN1NPC1 | |
| SCHEMBL28797144 | 0.92 | IP6K1 (0.45) | ALDH1A1CYP2A6KDM4EMEN1NPC1 | |
| SCHEMBL28755065 | 0.92 | TRIM24 (0.49) | ALDH1A1CYP2A6KDM4EMEN1NPC1 | |
| SCHEMBL30866160 | 0.88 | ALDH1A1 (0.44) | ALDH1A1CYP2A6KDM4EMEN1NPC1 | |
| SCHEMBL29693643 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CYP2A6KDM4EMEN1NPC1 | |
| Benzaldehyde SCHEMBL28412466 | 0.83 | ALDH1A1 (0.56) | ALDH1A1CYP2A6MEN1NPC1KMT2A | |
| SCHEMBL17422065 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP2A6KDM4EMEN1NPC1 | |
| SCHEMBL29818628 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP2A6KDM4EMEN1NPC1 | |
| SCHEMBL3933848 | 0.83 | KDM4E (0.57) | ALDH1A1CYP2A6KDM4EMEN1NPC1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103228759-B | Material for organic electroluminescent device | 弗朗霍夫应用科学研究促进协会 | 2016-10-26 | — | — | CN | disclosed |
| US-8513220-B2 | Aromatic compounds having sphingosine-1-phosphonate (S1P) receptor activity | ALLERGAN, INC. (US) | 2013-08-20 | — | — | US | disclosed |
| CN-103228759-A | Material for organic electroluminescent device | FRAUNHOFER GES FORSCHUNG | 2013-07-31 | — | — | CN | 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-2012007087-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2012-01-19 | — | — | WO | 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 |
| CN-1784379-A | Hydroxy-biphenyl-carbaldehyde oxime derivatives and their use as estrogenic agents | WYETH CORP (US) | 2006-06-07 | — | — | CN | 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 2617/4885CYP2A6 3025/4885KDM4E 2618/4885 |
| US-20110281822-A1 | AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY | S1PR1, S1PR3, S1PR2 | ALDH1A1 2617/4885CYP2A6 3025/4885KDM4E 2618/4885 |
“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.