Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29483451 | 1.00 | MAPT (0.52) | MAPTALDH1A1NPC1RAB9ANPSR1 | |
| SCHEMBL5865765 | 0.87 | PDE4A (0.42) | MAPTALDH1A1NPC1RAB9ANPSR1 | |
| SCHEMBL5865766 | 0.87 | PDE4A (0.42) | MAPTALDH1A1NPC1RAB9ANPSR1 | |
| SCHEMBL14156069 | 0.84 | MAPT (0.54) | MAPTALDH1A1NPC1RAB9ANPSR1 | |
| SCHEMBL7477836 | 0.80 | PARP1 (0.44) | MAPTALDH1A1NPC1RAB9ANPSR1 | |
| SCHEMBL8743683 | 0.80 | CA12 (0.42) | MAPTALDH1A1RAB9ANPSR1LMNA | |
| SCHEMBL7477831 | 0.80 | PARP1 (0.44) | MAPTALDH1A1NPC1RAB9ANPSR1 | |
| SCHEMBL11123552 | 0.79 | PARP1 (0.52) | MAPTALDH1A1NPC1RAB9ANPSR1 | |
| SCHEMBL11072261 | 0.79 | PARP1 (0.52) | MAPTALDH1A1NPC1RAB9ANPSR1 | |
| SCHEMBL11072258 | 0.79 | PARP1 (0.52) | MAPTALDH1A1NPC1RAB9ANPSR1 |
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-114349703-B | Trifluoromethyl-4-cyano pyrazole compound, and preparation method and application thereof | 天津大学 | 2024-05-10 | — | — | CN | disclosed |
| CN-114349703-A | Trifluoromethyl-4-cyanopyrazole compound, and preparation method and application thereof | 天津大学 | 2022-04-15 | — | — | CN | disclosed |