Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | TXNRD1 | Q16881 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TYMP | P19971 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | GSR | P00390 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9762203 | 0.78 | KCNH2 (0.38) | KCNH2ALDH1A1GPR84TXNRD1HPGD | |
| SCHEMBL10816236 | 0.77 | KCNH2 (0.36) | KCNH2ALDH1A1GPR84LMNAMAPT | |
| SCHEMBL9762423 | 0.72 | ALDH1A1 (0.35) | ALDH1A1MAPK1MAPTHTT | |
| SCHEMBL9761689 | 0.70 | KCNH2 (0.36) | KCNH2ALDH1A1MAPK1CYP3A4MAPT | |
| SCHEMBL28052800 | 0.61 | ALDH1A1 (0.39) | KCNH2ALDH1A1GPR84HPGDTYMP | |
| SCHEMBL28138958 | 0.61 | ALDH1A1 (0.39) | KCNH2ALDH1A1GPR84HPGDTYMP | |
| SCHEMBL28139630 | 0.61 | ALDH1A1 (0.39) | KCNH2ALDH1A1GPR84HPGDTYMP | |
| SCHEMBL971909 | 0.61 | ALDH1A1 (0.46) | KCNH2ALDH1A1TXNRD1HPGDLMNA | |
| SCHEMBL9761080 | 0.61 | MAT2A (0.34) | ALDH1A1MAPTHTT | |
| SCHEMBL21643928 | 0.60 | MEN1 (0.39) | KCNH2ALDH1A1GPR84HPGDTYMP |
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 |
|---|---|---|---|---|---|---|---|
| US-5026694-A | Antitumor agents | THE BRITISH COLUMBIA CANCER FOUNDATION (CA) | 1991-06-25 | — | — | US | disclosed |