Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | CNR2 | P34972 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29520620 | 0.86 | CNR1 (0.38) | CNR1CNR2MAPTTHRBPDK2 | |
| SCHEMBL29520721 | 0.86 | MEN1 (0.33) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL29409248 | 0.85 | NPC1 (0.36) | CNR1CNR2MAPTMEN1KMT2A | |
| SCHEMBL29520737 | 0.84 | IDO1 (0.40) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL29520545 | 0.84 | MAPT (0.42) | MAPTTHRBMEN1KMT2AKDM4E | |
| SCHEMBL29520490 | 0.80 | KDM4E (0.31) | MAPTMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL29520739 | 0.80 | CNR1 (0.34) | CNR1KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL29520584 | 0.78 | MAPT (0.38) | MAPTPDK2MEN1KMT2AKDM4E | |
| SCHEMBL29520342 | 0.76 | MAPT (0.40) | MAPTPDK2MEN1KMT2AKDM4E | |
| SCHEMBL29520778 | 0.76 | CHRM1 (0.37) | MEN1KMT2AALDH1A1NPC1RAB9A |
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-112174901-B | Synthesis method and anticancer activity of 1, 3-benzodiazepine compound | 河南师范大学 | 2022-02-08 | — | — | CN | disclosed |