Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.57 |
| ▸ | HTT | P42858 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | ACACB | O00763 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28912681 | 0.89 | PLK1 (0.72) | PLK1NPSR1HTTL3MBTL1CYP1A2 | |
| SCHEMBL28459281 | 0.89 | MEN1 (0.67) | PLK1HTTL3MBTL1CYP2C19NPC1 | |
| SCHEMBL28462599 | 0.89 | MEN1 (0.60) | PLK1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28463607 | 0.86 | NR1H4 (0.59) | PLK1NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL28459416 | 0.83 | NPC1 (0.61) | PLK1NPSR1HTTL3MBTL1CYP1A2 | |
| SCHEMBL28462554 | 0.82 | SMN1; SMN2 (0.65) | CYP1A2CYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL28467015 | 0.81 | KMT2A (0.56) | PLK1NPSR1CYP1A2NPC1RAB9A | |
| SCHEMBL6551314 | 0.80 | ALDH1A1 (0.55) | CYP1A2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL28469389 | 0.80 | PLK1 (0.59) | PLK1NPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL28471245 | 0.79 | EPHX1 (0.44) | NPSR1HTTL3MBTL1CYP1A2CYP3A4 |
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-111747904-A | Polyfluoroalkenyl substituted oxazole compound and preparation method thereof | 南京工业大学 | 2020-10-09 | — | — | CN | claimed |
| CN-111747904-A | Polyfluoroalkenyl substituted oxazole compound and preparation method thereof | 南京工业大学 | 2020-10-09 | — | — | CN | disclosed |