Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | JAK3 | P52333 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30712638 | 0.91 | ALDH1A1 (0.70) | ALDH1A1TP53NPC1RAB9AADORA3 | |
| SCHEMBL2831674 | 0.91 | ALDH1A1 (0.70) | ALDH1A1TP53NPC1RAB9AADORA3 | |
| SCHEMBL2831620 | 0.88 | ALDH1A1 (0.63) | ALDH1A1TP53NPC1RAB9AADORA3 | |
| SCHEMBL2832933 | 0.88 | ALDH1A1 (0.63) | ALDH1A1TP53NPC1RAB9AADORA3 | |
| SCHEMBL2830958 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TP53NPC1RAB9AADORA3 | |
| SCHEMBL2830168 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TP53NPC1RAB9AADORA3 | |
| SCHEMBL2833332 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TP53NPC1RAB9AADORA3 | |
| SCHEMBL4111391 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TP53NPC1RAB9AADORA3 | |
| SCHEMBL2832080 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TP53NPC1RAB9AADORA3 | |
| SCHEMBL2832159 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TP53NPC1RAB9AADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2066633-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY | Allergan, Inc. (US) | 2009-06-10 | — | — | EP | disclosed |
| EP-2064183-A2 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | Allergan, Inc. (US) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008030838-A2 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2008-03-13 | — | — | WO | disclosed |
| WO-2008030843-A1 | HETEROAROMATIC COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR AGONIST AND/OR ANTAGONIST BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2008-03-13 | — | — | WO | disclosed |