Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.39 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HTR5A | P47898 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2171604 | 0.83 | SCN9A (0.44) | ALDH1A1GAALMNASMN1; SMN2MMP2 | |
| SCHEMBL2171837 | 0.83 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C19L3MBTL1KDM4E | |
| SCHEMBL2169794 | 0.83 | ALDH1A1 (0.45) | ALDH1A1GAALMNASMN1; SMN2MMP2 | |
| SCHEMBL2170387 | 0.82 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL2170422 | 0.82 | ALDH1A1 (0.39) | ALDH1A1GAALMNASMN1; SMN2MMP2 | |
| SCHEMBL2170251 | 0.80 | ALDH1A1 (0.57) | ALDH1A1GAALMNASMN1; SMN2CYP1A2 | |
| SCHEMBL2173692 | 0.79 | HRH3 (0.41) | ALDH1A1LMNASMN1; SMN2MMP2MMP13 | |
| SCHEMBL2171613 | 0.79 | EPHX2 (0.51) | ALDH1A1GAALMNASMN1; SMN2CYP3A4 | |
| SCHEMBL2357195 | 0.75 | SCN9A (0.45) | LMNASMN1; SMN2L3MBTL1KMT2AMEN1 | |
| SCHEMBL2172994 | 0.73 | POLB (0.52) | ALDH1A1PRMT5WDR77POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |