Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 3/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | SHMT1 | P34896 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29520664 | 0.91 | CHRM1 (0.39) | CHRM1OPRK1LMNAPDE3ACCNE2 | |
| SCHEMBL29520739 | 0.86 | CNR1 (0.34) | PTGS2SLC6A3NPC1ALDH1A1HPGD | |
| SCHEMBL29409248 | 0.86 | NPC1 (0.36) | CHRM1LMNATP53RXFP1MEN1 | |
| SCHEMBL29520620 | 0.85 | CNR1 (0.38) | KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29520737 | 0.83 | IDO1 (0.40) | LMNAMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL29520545 | 0.80 | MAPT (0.42) | CHRM1LMNATP53MEN1KMT2A | |
| SCHEMBL29520576 | 0.79 | IDO1 (0.31) | — | |
| SCHEMBL29521036 | 0.79 | CYP2C9 (0.36) | CHRM1LMNATP53MEN1KMT2A | |
| SCHEMBL29520641 | 0.77 | CYP2A6 (0.33) | HSD11B1 | |
| SCHEMBL29520721 | 0.76 | MEN1 (0.33) | LMNAMEN1KMT2ANPC1ALDH1A1 |
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 |