Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18816146 | 0.83 | ALDH1A1 (0.47) | ALDH1A1TDP1TSHRSMN1; SMN2GPR35 | |
| SCHEMBL31184606 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRSMN1; SMN2GPR35 | |
| SCHEMBL2873795 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRSMN1; SMN2GPR35 | |
| SCHEMBL7458876 | 0.83 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRSMN1; SMN2GPR35 | |
| SCHEMBL9550132 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TDP1TSHRSMN1; SMN2GPR35 | |
| SCHEMBL8361517 | 0.82 | TDP1 (0.58) | ALDH1A1TDP1FBP1TSHRSMN1; SMN2 | |
| SCHEMBL8014629 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TDP1TSHRGPR35HSD17B10 | |
| SCHEMBL29686463 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRSMN1; SMN2GPR35 | |
| SCHEMBL2882412 | 0.78 | ALDH1A1 (0.40) | ALDH1A1TDP1TSHRSMN1; SMN2GPR35 | |
| SCHEMBL17974652 | 0.78 | NPSR1 (0.48) | ALDH1A1TSHRSMN1; SMN2NPSR1CYP3A4 |
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-2016097347-A1 | IMIDAZOPYRIDAZINE DERIVATIVES AS ΡΙ3Κβ INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2016-06-23 | — | — | WO | disclosed |