Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 2/20 | 0.62 |
| ▸ | MAP3K11 | Q16584 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.50 |
| ▸ | ICMT | O60725 | 1/20 | 0.49 |
| ▸ | PIM1 | P11309 | 6/20 | 0.46 |
| ▸ | PIM3 | Q86V86 | 6/20 | 0.46 |
| ▸ | PIM2 | Q9P1W9 | 6/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.41 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 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 | |
|---|---|---|---|---|
| SCHEMBL724011 | 0.86 | MAP3K11 (0.67) | TDO2MAP3K11CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2524917 | 0.81 | MAP3K11 (0.71) | TDO2MAP3K11CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31140514 | 0.79 | ICMT (0.50) | CYP3A4CYP2D6CYP2C9ICMTDYRK1A | |
| SCHEMBL16990426 | 0.77 | TDO2 (1.00) | TDO2MAP3K11CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2523522 | 0.75 | MAP3K11 (0.74) | TDO2MAP3K11CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31140512 | 0.74 | DYRK1A (0.47) | ICMTPIM1PIM3PIM2DYRK1A | |
| SCHEMBL16990417 | 0.71 | TDO2 (1.00) | TDO2 | |
| SCHEMBL10214023 | 0.70 | DYRK1A (0.50) | TDO2MAP3K11CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13572631 | 0.70 | GRIN1 (0.44) | PIK3CAFYN | |
| SCHEMBL12763272 | 0.69 | DYRK1A (0.60) | DYRK1AKITTNIK |
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-2379561-A2 | MLK INHIBITORS AND METHODS OF USE | University Of Rochester (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010068483-A2 | MLK INHIBITORS AND METHODS OF USE | UNIVERSITY OF ROCHESTER (US) | 2010-06-17 | — | — | WO | disclosed |