Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | TYK2 | P29597 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 6/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | FLT4 | P35916 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL473972 | 0.83 | ALDH1A1 (0.65) | ALDH1A1MAPK1CYP3A4HPGDJAK2 | |
| SCHEMBL22406996 | 0.80 | HSP90AA1 (0.53) | ALDH1A1MAPK1CYP3A4HPGDJAK2 | |
| SCHEMBL17261755 | 0.79 | MAPT (0.46) | ALDH1A1MAPK1CYP3A4HPGDJAK2 | |
| SCHEMBL29351910 | 0.79 | MAOA (0.50) | ALDH1A1MAPK1CYP3A4HPGDJAK2 | |
| SCHEMBL4117335 | 0.79 | MAOA (0.50) | ALDH1A1MAPK1CYP3A4HPGDJAK2 | |
| SCHEMBL23022212 | 0.79 | KDM4E (0.57) | MAPK1CYP3A4MAOBMAOAMAPT | |
| SCHEMBL17479481 | 0.79 | KMT2A (0.48) | ALDH1A1MAPK1CYP3A4HPGDJAK2 | |
| SCHEMBL22407088 | 0.77 | MAPK1 (0.53) | ALDH1A1MAPK1CYP3A4HPGDJAK2 | |
| SCHEMBL2096507 | 0.77 | AKR1C2 (0.47) | ALDH1A1MAPK1CYP3A4HPGDJAK2 | |
| SCHEMBL2714108 | 0.77 | MAOB (0.47) | MAOBMAOAMAPTNPSR1THRA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017063754-A1 | CONFORMATIONALLY CONSTRAINED MACROCYCLIC COMPOUNDS AS PIN1 MODULATORS | POLYPHOR AG (CH) | 2017-04-20 | — | — | WO | disclosed |
| WO-2017063755-A1 | CONFORMATIONALLY CONSTRAINED MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2017-04-20 | — | — | WO | disclosed |