Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29520545 | 0.91 | MAPT (0.42) | NPC1RAB9AKMT2AMEN1TP53 | |
| SCHEMBL29520778 | 0.86 | CHRM1 (0.37) | NPC1RAB9AKMT2AMEN1TP53 | |
| SCHEMBL29520721 | 0.85 | MEN1 (0.33) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL29520292 | 0.85 | CNR1 (0.35) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL29520737 | 0.84 | IDO1 (0.40) | KMT2AMEN1MAPTKDM4ENPSR1 | |
| SCHEMBL29521036 | 0.80 | CYP2C9 (0.36) | NPC1RAB9AKMT2AMEN1TP53 | |
| SCHEMBL29520664 | 0.80 | CHRM1 (0.39) | KMT2AMEN1TP53MAPTCNR1 | |
| SCHEMBL29520576 | 0.80 | IDO1 (0.31) | — | |
| SCHEMBL28500399 | 0.78 | MAPT (0.43) | NPC1KMT2AMEN1MAPTKDM4E | |
| SCHEMBL29520739 | 0.76 | CNR1 (0.34) | NPC1RAB9ACNR1KDM4EALDH1A1 |
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-114213431-A | Spiro [ benzo [ d ] [1,3] oxazine-isoquinoline dione ] compound and synthetic method thereof | 河南师范大学 | 2022-03-22 | — | — | CN | disclosed |
| CN-112174901-B | Synthesis method and anticancer activity of 1, 3-benzodiazepine compound | 河南师范大学 | 2022-02-08 | — | — | CN | disclosed |