Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.34 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL20515231 | 0.81 | AKR1B1 (0.39) | AKR1B1CNR1ALDH1A1POLBKDM4E | |
| SCHEMBL31701380 | 0.79 | CA12 (0.47) | AKR1B1CNR1ALDH1A1POLBKDM4E | |
| SCHEMBL30098901 | 0.77 | AKR1B1 (0.39) | AKR1B1CNR1ALDH1A1POLBKDM4E | |
| SCHEMBL4553409 | 0.77 | AKR1B1 (0.41) | AKR1B1CNR1POLBHSD17B10 | |
| SCHEMBL31702004 | 0.77 | TBXAS1 (0.40) | AKR1B1CNR1ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL3819996 | 0.76 | AKR1B1 (0.43) | AKR1B1ALDH1A1POLBHSD17B10 | |
| SCHEMBL29038550 | 0.75 | CNR1 (0.54) | CNR1ALDH1A1POLBKDM4ESMN1; SMN2 | |
| SCHEMBL29038572 | 0.75 | CNR1 (0.54) | CNR1ALDH1A1POLBKDM4ESMN1; SMN2 | |
| SCHEMBL27945337 | 0.75 | CNR1 (0.54) | CNR1ALDH1A1POLBKDM4ESMN1; SMN2 | |
| SCHEMBL31701377 | 0.75 | AKR1B1 (0.37) | AKR1B1CNR2POLBHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009141386-A1 | DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-11-26 | — | — | WO | disclosed |