Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 6/20 | 0.36 |
| ▸ | MASP2 | O00187 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | MMP13 | P45452 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2350637 | 0.82 | CYP2D6 (0.40) | F2MASP2CYP2D6S1PR1CYP3A4 | |
| SCHEMBL2352606 | 0.79 | F2 (0.41) | F2MASP2CYP2D6S1PR1CYP3A4 | |
| SCHEMBL2353036 | 0.75 | F2 (0.41) | F2MASP2CYP2D6S1PR1CYP3A4 | |
| SCHEMBL2172637 | 0.74 | GSK3A (0.38) | CYP2D6S1PR1CYP3A4MEN1KMT2A | |
| SCHEMBL1371656 | 0.73 | S1PR1 (0.53) | F2MASP2CYP2D6S1PR1CYP3A4 | |
| SCHEMBL1373946 | 0.68 | S1PR1 (0.52) | F2CYP2D6S1PR1CYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL1375216 | 0.67 | S1PR1 (0.52) | F2CYP2D6S1PR1CYP3A4MAPT | |
| SCHEMBL1373013 | 0.66 | HRH3 (0.49) | CYP2D6S1PR1CYP3A4POLBCYP2C9 | |
| SCHEMBL1373351 | 0.65 | S1PR1 (0.65) | CYP2D6S1PR1CYP3A4MEN1KMT2A | |
| SCHEMBL1375598 | 0.65 | S1PR1 (0.49) | F2CYP2D6S1PR1CYP3A4POLB |
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-2349252-A2 | SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | Exelixis, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |
| EP-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |
| WO-2010045601-A2 | SYNERGISTIC EFFECTS BETWEEN SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |