Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 8/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29940771 | 1.00 | ALDH1A1 (0.52) | ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL28320735 | 0.88 | RXFP1 (0.57) | ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL29640568 | 0.88 | RXFP1 (0.57) | ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL13237304 | 0.83 | SMN1; SMN2 (0.45) | ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL29640575 | 0.81 | RXFP1 (0.65) | ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL28567996 | 0.81 | RXFP1 (0.65) | ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL29640597 | 0.81 | MAPT (0.70) | ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL29640593 | 0.81 | RXFP1 (0.60) | ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL28574077 | 0.81 | MAPT (0.70) | ALDH1A1MAPK1MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL28567990 | 0.81 | RXFP1 (0.60) | ALDH1A1MAPK1MAPTKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112812070-B | Method for preparing benzodiazepine compound by high-efficiency catalysis of palladium pyridine | 陕西师范大学 | 2022-10-21 | — | — | CN | disclosed |
| CN-112812070-A | Method for preparing benzodiazepine compound by high-efficiency catalysis of palladium pyridine | 陕西师范大学 | 2021-05-18 | — | — | CN | disclosed |