Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.65 |
| ▸ | CES2 | O00748 | 1/20 | 0.65 |
| ▸ | PARP1 | P09874 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | ACHE | P22303 | 2/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2500212 | 1.00 | CES1 (0.65) | CES1CES2PARP1KDM4EMAPT | |
| SCHEMBL28511858 | 0.86 | CES2 (0.61) | CES1CES2PARP1KDM4EMAPT | |
| SCHEMBL10528287 | 0.86 | CES2 (0.61) | CES1CES2PARP1KDM4EMAPT | |
| SCHEMBL21509990 | 0.84 | PARP1 (0.64) | CES1CES2PARP1KDM4EMAPT | |
| SCHEMBL7844611 | 0.84 | CES2 (0.67) | CES1CES2PARP1KDM4ENPC1 | |
| SCHEMBL16158159 | 0.82 | CES2 (0.56) | CES1CES2PARP1KDM4EMAPT | |
| SCHEMBL16147391 | 0.82 | CES2 (0.56) | CES1CES2PARP1KDM4EMAPT | |
| SCHEMBL314013 | 0.81 | KMT2A (0.56) | KDM4EMAPTNPC1RAB9AACHE | |
| SCHEMBL18644437 | 0.81 | CYP1A2 (0.58) | CES1CES2PARP1KDM4EMAPT | |
| SCHEMBL8848201 | 0.81 | AKR1C3 (0.66) | CES1KDM4ENPC1RAB9AACHE |
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-115677575-A | Synthesis method and application of N-heteroaryl trifluoromethyl methanol compound | 南京林业大学 | 2023-02-03 | — | — | CN | disclosed |