Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.36 |
| ▸ | CES2 | O00748 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1173628 | 0.77 | ATM (0.45) | CES1CES2MAPTHPGDSMN1; SMN2 | |
| SCHEMBL9702758 | 0.77 | HDAC1 (0.38) | CES1KDM4EMEN1CYP3A4MAPT | |
| SCHEMBL11663847 | 0.76 | POLB (0.35) | CES1CES2KDM4EMEN1CYP3A4 | |
| SCHEMBL2698765 | 0.70 | CES1 (0.39) | PTPN1GSK3BCES1CES2KDM4E | |
| SCHEMBL250821 | 0.69 | PTPN1 (0.52) | PTPN1GSK3BCES1CES2KDM4E | |
| SCHEMBL15437855 | 0.67 | GSK3B (0.56) | PTPN1GSK3BCES1CES2KDM4E | |
| SCHEMBL366630 | 0.67 | CES1 (0.41) | CES1CES2KDM4EMEN1CYP3A4 | |
| SCHEMBL10732742 | 0.67 | GSK3B (0.56) | PTPN1GSK3BCES1CES2KDM4E | |
| SCHEMBL10728550 | 0.67 | GSK3B (0.56) | PTPN1GSK3BCES1CES2KDM4E | |
| SCHEMBL18428678 | 0.67 | CA2 (0.42) | PTPN1CES1CES2KDM4EMEN1 |
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-2862856-A1 | AROMATIC HETEROCYCLIC COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2015-04-22 | — | — | EP | disclosed |