Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | YWHAH | Q04917 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 2/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.36 |
| ▸ | GABRD | O14764 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1350216 | 0.83 | S1PR3 (0.45) | ALDH1A1S1PR3 | |
| SCHEMBL15005229 | 0.81 | S1PR3 (0.40) | ALDH1A1LMNAS1PR3EGLN1 | |
| SCHEMBL1348380 | 0.79 | ALDH1A1 (0.44) | ALDH1A1LMNANPSR1S1PR3MEN1 | |
| SCHEMBL3720179 | 0.79 | S1PR3 (0.54) | ALDH1A1LMNANPSR1S1PR3KMT2A | |
| SCHEMBL336487 | 0.77 | S1PR3 (0.50) | ALDH1A1LMNANPSR1S1PR3MEN1 | |
| SCHEMBL336895 | 0.77 | LMNA (0.54) | ALDH1A1LMNANPSR1S1PR3MEN1 | |
| SCHEMBL290260 | 0.76 | S1PR3 (0.53) | ALDH1A1LMNANPSR1S1PR3MEN1 | |
| SCHEMBL1348772 | 0.72 | S1PR3 (0.73) | S1PR3 | |
| SCHEMBL1149532 | 0.71 | MAT2A (0.39) | LMNAMEN1KMT2ANPC1RAB9A | |
| SCHEMBL4885612 | 0.70 | S1PR3 (0.55) | ALDH1A1LMNANPSR1S1PR3MEN1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2303878-B1 | AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN INC (US) | 2013-06-12 | — | — | EP | claimed |
| US-8012992-B2 | Aza-indoles and related compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity | ALLERGAN, INC. (US) | 2011-09-06 | — | — | US | claimed |
| EP-2303878-A1 | AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | Allergan, Inc. (US) | 2011-04-06 | — | — | EP | claimed |
| WO-2010002820-A1 | AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2010-01-07 | — | — | WO | claimed |
| US-20090325970-A1 | AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2009-12-31 | — | — | US | claimed |
| US-8536339-B2 | AZA-indoles and related compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity | ALLERGAN, INC. (US) | 2013-09-17 | — | — | US | disclosed |
| EP-2303878-B1 | AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN INC (US) | 2013-06-12 | — | — | EP | disclosed |
| US-8263767-B2 | AZA-indoles and related compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity | ALLERGAN, INC. (US) | 2012-09-11 | — | — | US | disclosed |
| US-20110288301-A1 | AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2011-11-24 | — | — | US | disclosed |
| US-20110282057-A1 | AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2011-11-17 | — | — | US | disclosed |
| US-8012992-B2 | Aza-indoles and related compounds having sphingosine-1-phosphate (S1P) receptor antagonist biological activity | ALLERGAN, INC. (US) | 2011-09-06 | — | — | US | disclosed |
| EP-2303878-A1 | AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | Allergan, Inc. (US) | 2011-04-06 | — | — | EP | disclosed |
| WO-2010002820-A1 | AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2010-01-07 | — | — | WO | disclosed |
| US-20090325970-A1 | AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2009-12-31 | — | — | 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 (3 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-20110288301-A1 | AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | S1PR1, S1PR2, S1PR3 | ALDH1A1 1557/4885LMNA 3009/4885NPSR1 28/4885 |
| US-20090325970-A1 | AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | S1PR1, S1PR2, S1PR3 | ALDH1A1 1522/4885LMNA 3032/4885NPSR1 28/4885 |
| US-20110282057-A1 | AZA-INDOLES AND RELATED COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY | S1PR1, S1PR2, S1PR3 | ALDH1A1 1577/4885LMNA 3012/4885NPSR1 28/4885 |
“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.