Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28672928 | 0.84 | CES2 (0.40) | ALDH1A1MAPTLMNARXRARXRB | |
| SCHEMBL775141 | 0.79 | KMT2A (0.49) | KMT2ANFE2L2TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL28666222 | 0.78 | HPGD (0.42) | ALDH1A1ALOX12SMN1; SMN2HTTKDM4E | |
| SCHEMBL22195311 | 0.77 | CA2 (0.50) | KMT2AALDH1A1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL29645039 | 0.76 | CA2 (0.44) | KMT2ANFE2L2TP53ALDH1A1ALOX12 | |
| SCHEMBL7247573 | 0.76 | CA2 (0.44) | KMT2ANFE2L2TP53ALDH1A1ALOX12 | |
| SCHEMBL8401162 | 0.74 | NFE2L2 (0.50) | KMT2ANFE2L2ALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL9883215 | 0.72 | NFE2L2 (0.47) | KMT2ANFE2L2TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL4588485 | 0.72 | PLOD2 (0.49) | KMT2ATP53ALDH1A1ALOX12SMN1; SMN2 | |
| SCHEMBL9420260 | 0.72 | NFE2L2 (0.55) | KMT2ANFE2L2TP53ALDH1A1SMN1; SMN2 |
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-113860981-A | Preparation method of trifluoromethyl thioester | 山东大学 | 2021-12-31 | — | — | CN | disclosed |