Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KCNT1 | Q5JUK3 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2171096 | 0.89 | SCN9A (0.51) | ALDH1A1KDM4ESCN9ATSHR | |
| SCHEMBL2350905 | 0.89 | HPGD (0.48) | ALDH1A1KDM4ETDP1SCN9ASMN1; SMN2 | |
| SCHEMBL2173714 | 0.87 | SCN9A (0.45) | ALDH1A1KDM4ESCN9A | |
| SCHEMBL2169958 | 0.86 | SCN9A (0.47) | ALDH1A1SCN9ACNR2 | |
| SCHEMBL2171621 | 0.86 | QRFPR (0.50) | ALDH1A1SCN9A | |
| SCHEMBL2169808 | 0.86 | SCN9A (0.48) | ALDH1A1SCN9A | |
| SCHEMBL2171851 | 0.86 | KMT2A (0.53) | ALDH1A1SCN9A | |
| SCHEMBL2170108 | 0.85 | LMNA (0.52) | ALDH1A1SCN9ASMN1; SMN2HTT | |
| SCHEMBL2185323 | 0.85 | SCN9A (0.45) | SCN9ACNR2 | |
| SCHEMBL2354557 | 0.84 | KMT2A (0.48) | ALDH1A1SCN9ASMN1; SMN2CNR2 |
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 3 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-2010045601-A2 | SYNERGISTIC EFFECTS BETWEEN SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |