Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11274656 | 0.90 | TSHR (0.68) | TSHRLTA4HMKNK1MKNK2ALDH1A1 | |
| Biphenyl SCHEMBL27280595 | 0.90 | TSHR (0.68) | TSHRLTA4HMKNK1MKNK2ALDH1A1 | |
| SCHEMBL70274 | 0.90 | TSHR (0.68) | TSHRLTA4HMKNK1MKNK2ALDH1A1 | |
| SCHEMBL15043308 | 0.83 | TSHR (0.59) | TSHRLTA4HMKNK1MKNK2ALDH1A1 | |
| Biphenyl SCHEMBL3279732 | 0.81 | TSHR (0.82) | TSHRLTA4HMKNK1MKNK2ALDH1A1 | |
| SCHEMBL6448256 | 0.81 | TSHR (0.50) | TSHRLTA4HMKNK1MKNK2PDCD1 | |
| SCHEMBL35774 | 0.81 | TSHR (0.50) | TSHRLTA4HPDK2BACE1 | |
| SCHEMBL31527739 | 0.80 | CALM1 (0.60) | TSHRLTA4HALDH1A1HSD17B10HPGD | |
| SCHEMBL25439910 | 0.79 | NPC1 (0.61) | TSHRLTA4HMKNK1MKNK2HTT | |
| SCHEMBL16056409 | 0.79 | ALDH1A1 (0.53) | TSHRALDH1A1PTGS1PDK2PPARG |
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-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 |
| US-8257889-B2 | Imaging members comprising capped structured organic film compositions | XEROX CORPORATION (US) | 2012-09-04 | — | — | 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 | TSHR 704/4885LTA4H 1823/4885MKNK1 1006/4885 |
| US-20110281822-A1 | AROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHONATE (S1P) RECEPTOR ACTIVITY | S1PR1, S1PR3, S1PR2 | TSHR 704/4885LTA4H 1823/4885MKNK1 1006/4885 |
“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.