Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| SCHEMBL2170146 | 0.91 | SCN9A (0.48) | SCN9AALDH1A1TACR2ITGB3ITGA2B | |
| SCHEMBL2171096 | 0.85 | SCN9A (0.51) | SCN9AALDH1A1KDM4EPOLBCACNA1B | |
| SCHEMBL2169958 | 0.85 | SCN9A (0.47) | SCN9AALDH1A1S1PR2 | |
| SCHEMBL2170108 | 0.84 | LMNA (0.52) | SCN9AALDH1A1POLB | |
| SCHEMBL2170398 | 0.83 | ALDH1A1 (0.51) | SCN9AALDH1A1KDM4E | |
| SCHEMBL2171851 | 0.82 | KMT2A (0.53) | SCN9AALDH1A1TACR2 | |
| SCHEMBL2169808 | 0.82 | SCN9A (0.48) | SCN9AALDH1A1TACR2 | |
| SCHEMBL2171621 | 0.82 | QRFPR (0.50) | SCN9AALDH1A1ITGB3ITGA2B | |
| SCHEMBL2171705 | 0.81 | MEN1 (0.60) | ALDH1A1 | |
| SCHEMBL2170811 | 0.81 | MAPT (0.54) | SCN9AALDH1A1KDM4EPOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2349252-A2 | SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | Exelixis, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010045601-A2 | SYNERGISTIC EFFECTS BETWEEN SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |