Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | KLK7 | P49862 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | FNTA | P49354 | 1/20 | 0.52 |
| ▸ | FNTB | P49356 | 1/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2352920 | 0.87 | S1PR1 (0.52) | ALDH1A1KDM4ERAB9ANPC1POLB | |
| SCHEMBL2356378 | 0.84 | BRAF (0.51) | LTA4HEPHX2S1PR1 | |
| SCHEMBL2357200 | 0.83 | S1PR1 (0.48) | ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1 | |
| SCHEMBL1372399 | 0.81 | S1PR1 (0.75) | KLK7CNR2LTA4HEPHX2FNTA | |
| SCHEMBL1372397 | 0.81 | S1PR1 (0.75) | KLK7CNR2LTA4HEPHX2FNTA | |
| SCHEMBL2172990 | 0.80 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2RAB9ANPC1CYP3A4 | |
| SCHEMBL5967083 | 0.79 | CYP3A4 (0.56) | ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1 | |
| SCHEMBL2353028 | 0.78 | S1PR1 (0.45) | ALDH1A1SMN1; SMN2RAB9ANPC1CYP2C9 | |
| SCHEMBL2172331 | 0.78 | S1PR1 (0.52) | KDM4ESMN1; SMN2RAB9ANPC1POLB | |
| SCHEMBL2187665 | 0.78 | S1PR1 (0.55) | ALDH1A1SMN1; SMN2KLK7MAPTFNTA |
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 |