Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.49 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.49 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8902929 | 0.76 | ALDH1A1 (0.51) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL6203515 | 0.71 | ALDH1A1 (0.68) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL11188525 | 0.71 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL5445828 | 0.71 | HSP90AA1 (0.62) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL22122559 | 0.70 | PIM1 (0.49) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL573358 | 0.70 | ALDH1A1 (0.51) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL27459749 | 0.70 | MEN1 (0.36) | ALDH1A1HPGDMAPTLMNAFGFR4 | |
| SCHEMBL27825388 | 0.70 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL11869679 | 0.69 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1HPGD | |
| SCHEMBL11869664 | 0.69 | ALDH1A1 (0.50) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1158610-A | Quinoxaline derivatives useful in therapy | PFIZER LTD (IE) | 1997-09-03 | — | — | CN | disclosed |