Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.37 |
| ▸ | EGLN2 | Q96KS0 | 4/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29188490 | 0.82 | KMT2A (0.56) | KMT2AMAOAMAOBAPPKDM4E | |
| SCHEMBL28274303 | 0.78 | KMT2A (0.67) | KMT2AEGLN2APPKDM4EALDH1A1 | |
| SCHEMBL3986122 | 0.72 | NR1H2 (0.50) | NR1H2EGLN2NR1H3KDM4EALDH1A1 | |
| SCHEMBL17220678 | 0.70 | NR1H2 (0.74) | NR1H2NR1H3 | |
| SCHEMBL14929532 | 0.67 | KMT2A (0.59) | KMT2ANR1H2APPNR1H3KDM4E | |
| SCHEMBL14643985 | 0.67 | MDM4 (0.45) | PDPK1MAOAMAOBAPPALDH1A1 | |
| SCHEMBL12124986 | 0.66 | MDM4 (0.41) | PDPK1KMT2AMAOAMAOBKDM4E | |
| SCHEMBL12345580 | 0.66 | MDM4 (0.49) | MAOAMAOBAPPALDH1A1HPGD | |
| SCHEMBL28838151 | 0.66 | KIF11 (0.51) | PDPK1KIF11PDK2PTPN5 | |
| SCHEMBL29188504 | 0.66 | KMT2A (0.41) | KMT2AADORA2AKDM4EALDH1A1HPGD |
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-117865869-A | Method for synthesizing 1-trifluoromethyl indole compound by taking 2-alkynyl aromatic amine as raw material | 江南大学 | 2024-04-12 | — | — | CN | disclosed |