Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | MYC | P01106 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | AGER | Q15109 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3309889 | 0.85 | KMT2A (0.70) | KMT2AMYCKDM4ETDP1CYP3A4 | |
| SCHEMBL15294735 | 0.85 | KMT2A (0.70) | KMT2AMYCKDM4ETDP1CYP3A4 | |
| SCHEMBL30477850 | 0.85 | KMT2A (0.70) | KMT2AMYCKDM4ETDP1CYP3A4 | |
| SCHEMBL17746092 | 0.84 | KMT2A (0.68) | KMT2AMYCKDM4ETDP1CYP3A4 | |
| SCHEMBL31057148 | 0.84 | KMT2A (0.68) | KMT2AMYCKDM4ETDP1CYP3A4 | |
| SCHEMBL11399275 | 0.84 | KMT2A (0.68) | KMT2AMYCKDM4ETDP1CYP3A4 | |
| SCHEMBL7234041 | 0.83 | KMT2A (0.67) | KMT2AMYCKDM4ETDP1CYP3A4 | |
| SCHEMBL394318 | 0.82 | OPRK1 (0.54) | KMT2AKDM4ETDP1CYP3A4MAPT | |
| SCHEMBL7243430 | 0.81 | KMT2A (0.65) | KMT2AMYCKDM4ETDP1TSHR | |
| SCHEMBL593819 | 0.81 | KMT2A (0.69) | KMT2AMYCKDM4ETDP1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2408745-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2012-01-25 | — | — | EP | disclosed |