Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TPMT | P51580 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3595404 | 0.85 | TPMT (0.54) | TPMTPARP1ALDH1A1MAPTHPGD | |
| SCHEMBL9509573 | 0.85 | KDM4E (0.42) | CYP3A4ATAD2ALDH1A1MEN1KMT2A | |
| SCHEMBL177003 | 0.84 | ALDH1A1 (0.51) | CYP3A4TP53ATAD2ALDH1A1MAPT | |
| SCHEMBL7189753 | 0.79 | CYP3A4 (0.55) | CYP3A4TP53TPMTPARP1ALDH1A1 | |
| SCHEMBL583546 | 0.78 | NPC1 (0.59) | CYP3A4TP53ALDH1A1MAPTHPGD | |
| SCHEMBL11651683 | 0.78 | CA12 (0.53) | CYP3A4TP53ATAD2ALDH1A1MAPT | |
| SCHEMBL31647047 | 0.78 | TP53 (0.40) | CYP3A4TP53TPMTATAD2ALDH1A1 | |
| SCHEMBL13239317 | 0.78 | KDM4E (0.44) | TP53TPMTALDH1A1MAPTHPGD | |
| SCHEMBL2537405 | 0.77 | TPMT (0.70) | CYP3A4TP53TPMTALDH1A1MAPT | |
| SCHEMBL30269665 | 0.77 | TPMT (0.70) | CYP3A4TP53TPMTALDH1A1MAPT |
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-103044332-B | For the method preparing the substituted pyrazole compound of N | 江苏龙灯化学有限公司 | 2016-08-24 | — | — | CN | disclosed |