Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 3/20 | 0.45 |
| ▸ | F13A1 | P00488 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 2/20 | 0.39 |
| ▸ | FNTB | P49356 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.38 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12157521 | 0.84 | S1PR1 (0.43) | F13A1TGM2S1PR1CYP3A4CYP2D6 | |
| SCHEMBL1375039 | 0.83 | EPHX2 (0.48) | EPHX2F13A1TGM2S1PR1CYP3A4 | |
| SCHEMBL1373852 | 0.83 | EPHX2 (0.48) | EPHX2F13A1TGM2S1PR1CYP3A4 | |
| SCHEMBL1372130 | 0.83 | EPHX2 (0.48) | EPHX2F13A1TGM2S1PR1CYP3A4 | |
| SCHEMBL2169869 | 0.83 | EPHX2 (0.48) | EPHX2F13A1TGM2S1PR1CYP3A4 | |
| SCHEMBL1372387 | 0.81 | S1PR1 (0.51) | EPHX2F13A1TGM2S1PR1CYP3A4 | |
| SCHEMBL2170273 | 0.81 | S1PR1 (0.51) | EPHX2F13A1TGM2S1PR1CYP3A4 | |
| SCHEMBL1373800 | 0.80 | EPHX2 (0.48) | EPHX2F13A1TGM2S1PR1CYP2C9 | |
| SCHEMBL2355325 | 0.80 | HRH3 (0.47) | EPHX2F13A1TGM2S1PR1CYP3A4 | |
| SCHEMBL21436732 | 0.79 | F13A1 (0.45) | EPHX2F13A1TGM2FNTAFNTB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8791102-B2 | Acetanilide sphingosine-1-phosphate receptor antagonists | EXELIXIS, INC. (US) | 2014-07-29 | — | — | US | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |