Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ULK1 | O75385 | 1/20 | 0.43 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.42 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 4/20 | 0.42 |
| ▸ | AKT2 | P31751 | 2/20 | 0.42 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | PBK | Q96KB5 | 1/20 | 0.41 |
| ▸ | TNKS | O95271 | 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 | |
|---|---|---|---|---|
| SCHEMBL6204294 | 0.84 | ALDH1A1 (0.51) | TSHRLMNASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL3879671 | 0.83 | NPC1 (0.47) | KDM4ECYP2D6SLC6A1SLC6A11TSHR | |
| SCHEMBL6201040 | 0.82 | ALDH1A1 (0.47) | KDM4ECYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1552756 | 0.80 | ULK1 (0.56) | CYP2D6CYP3A4ULK1TSHRLMNA | |
| SCHEMBL6204321 | 0.79 | HDAC1 (0.48) | — | |
| SCHEMBL6203499 | 0.79 | HDAC1 (0.48) | — | |
| SCHEMBL6203532 | 0.79 | HDAC1 (0.48) | — | |
| SCHEMBL6204513 | 0.78 | SMYD3 (0.46) | ULK1ATM | |
| SCHEMBL6204397 | 0.78 | SMYD3 (0.46) | ULK1ATM | |
| SCHEMBL3877272 | 0.77 | TAS1R3 (0.45) | ULK1SLC6A1SLC6A11TSHRLMNA |
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-1494672-A1 | AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY | Abbott Laboratories (US) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003086398-A1 | AMINOCARBONYL SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, PYRAZINES AND TRIAZINES HAVING ANTIANGIOGENIC ACTIVITY | ABBOTT LABORATORIES (US) | 2003-10-23 | — | — | WO | disclosed |