Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.47 |
| ▸ | ACLY | P53396 | 3/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SDHB | P21912 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL19125475 | 0.90 | PTGS2 (0.55) | PTGS2EGFRPDK2ACLYNOTUM | |
| SCHEMBL5847620 | 0.84 | EGFR (0.61) | PTGS2EGFRPDK2ACLYTSHR | |
| SCHEMBL6741308 | 0.84 | EGFR (0.61) | PTGS2EGFRPDK2ACLYTSHR | |
| SCHEMBL8149043 | 0.83 | PTGS2 (0.47) | PTGS2EGFRPDK2ACLYNOTUM | |
| SCHEMBL18822403 | 0.83 | PTGS2 (0.50) | PTGS2EGFRPDK2NOTUMTSHR | |
| SCHEMBL14616750 | 0.81 | NOTUM (0.53) | PDK2NOTUMKDM4EALDH1A1GAA | |
| SCHEMBL2934710 | 0.81 | MAPT (0.57) | NOTUMKDM4EALDH1A1GAAPKM | |
| SCHEMBL6134609 | 0.81 | NOTUM (0.50) | PDK2ACLYNOTUMKDM4EALDH1A1 | |
| SCHEMBL2314446 | 0.81 | NOTUM (0.47) | NOTUMKDM4EALDH1A1GAAPKM | |
| SCHEMBL31238876 | 0.81 | MAPT (0.57) | NOTUMKDM4EALDH1A1GAAPKM |
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 | PTGS2 4351/4885EGFR 1590/4885PDK2 1284/4885 |
| US-20110281822-A1 | AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY | S1PR1, S1PR3, S1PR2 | PTGS2 4351/4885EGFR 1590/4885PDK2 1284/4885 |
“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.