Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.77 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | PIM1 | P11309 | 1/20 | 0.49 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.49 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.47 |
| ▸ | CDK9 | P50750 | 1/20 | 0.47 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KIF20A | O95235 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| 3-Formylindole SCHEMBL30782674 | 0.88 | CYP2A6 (1.00) | CYP2A6IMPDH2KMT2APIM1PIM3 | |
| 3-Formylindole SCHEMBL56373 | 0.88 | CYP2A6 (1.00) | CYP2A6IMPDH2KMT2APIM1PIM3 | |
| 3-Formylindole SCHEMBL30786737 | 0.88 | CYP2A6 (1.00) | CYP2A6IMPDH2KMT2APIM1PIM3 | |
| 3-Formylindole SCHEMBL38654556 | 0.88 | CYP2A6 (1.00) | CYP2A6IMPDH2KMT2APIM1PIM3 | |
| 3-Formylindole SCHEMBL23630272 | 0.86 | CYP2A6 (0.96) | CYP2A6IMPDH2KMT2APIM1PIM3 | |
| 3-Formylindole SCHEMBL30234679 | 0.86 | CYP2A6 (0.96) | CYP2A6IMPDH2KMT2APIM1PIM3 | |
| 3-Formylindole SCHEMBL7432698 | 0.86 | CYP2A6 (0.96) | CYP2A6IMPDH2KMT2APIM1PIM3 | |
| 3-Formylindole SCHEMBL27637265 | 0.86 | CYP2A6 (0.96) | CYP2A6IMPDH2KMT2APIM1PIM3 | |
| 3-Formylindole SCHEMBL27269605 | 0.86 | CYP2A6 (0.96) | CYP2A6IMPDH2KMT2APIM1PIM3 | |
| 3-Formylindole SCHEMBL27868505 | 0.79 | CYP2A6 (0.82) | CYP2A6IMPDH2KMT2APIM1PIM3 |
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-116836169-A | Preparation method of trifluoromethyl substituted pyrimidine indolone derivative | 浙江理工大学 | 2023-10-03 | — | — | CN | disclosed |