Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | CSF1R | P07333 | 1/20 | 0.46 |
| ▸ | RET | P07949 | 1/20 | 0.46 |
| ▸ | MET | P08581 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4592530 | 0.84 | GAA (0.54) | GAAHTTALDH1A1MEN1KMT2A | |
| SCHEMBL4740818 | 0.83 | AURKA (0.65) | GAAHTTALDH1A1MEN1CYP1A2 | |
| SCHEMBL2500333 | 0.83 | GAA (0.68) | LTA4HGAAHTTALDH1A1MEN1 | |
| SCHEMBL16601601 | 0.82 | HTT (0.59) | LTA4HHTTALDH1A1RAB9AHDAC1 | |
| SCHEMBL13090580 | 0.79 | KDM4E (0.72) | LTA4HGAAALDH1A1MEN1CYP1A2 | |
| SCHEMBL30862011 | 0.79 | KDM4E (0.72) | LTA4HGAAALDH1A1MEN1CYP1A2 | |
| SCHEMBL2065031 | 0.76 | CYP1A2 (0.69) | LTA4HHTTALDH1A1MEN1CYP1A2 | |
| SCHEMBL4739798 | 0.76 | LTA4H (0.47) | LTA4HGAAHTTALDH1A1MEN1 | |
| SCHEMBL3038971 | 0.75 | GAA (0.45) | GAAMEN1CYP3A4KMT2ANAMPT | |
| SCHEMBL1624682 | 0.75 | HTT (0.84) | GAAHTTALDH1A1MEN1CYP1A2 |
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-2099800-A1 | 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION | Pharmacopeia, LLC (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008060301-A1 | 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION | PHARMACOPEIA , LLC (US) | 2008-05-22 | — | — | WO | disclosed |