Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.47 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.47 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.47 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | PLK1 | P53350 | 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 | |
|---|---|---|---|---|
| SCHEMBL28049809 | 0.79 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL27825461 | 0.75 | POLB (0.56) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL27804767 | 0.74 | MET (0.61) | — | |
| SCHEMBL5505814 | 0.73 | POLB (0.57) | ALDH1A1CYP3A4TSHRTDP1ALOX15 | |
| SCHEMBL11444409 | 0.72 | ALDH1A1 (0.66) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL24557865 | 0.72 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL2371582 | 0.72 | ALDH1A1 (0.51) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL30788051 | 0.72 | ALDH1A1 (0.51) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL30598677 | 0.72 | ALDH1A1 (0.40) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL5766462 | 0.70 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TSHRTDP1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-101993416-B | Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound | SHANGHAI INST MATERIA MEDICA | 2013-09-11 | — | — | CN | disclosed |
| CN-101993416-A | Quinoline compound and preparation method thereof, medicament combination containing compound and application of compound | SHANGHAI INST MATERIA MEDICA | 2011-03-30 | — | — | CN | disclosed |