Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 5/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | STK17B | O94768 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28524835 | 1.00 | NPSR1 (0.35) | NPSR1RETALKFLT3STK17B | |
| SCHEMBL28520050 | 0.88 | CYP19A1 (0.34) | NPSR1RETALKFLT3STK17B | |
| SCHEMBL29634186 | 0.88 | CYP19A1 (0.34) | NPSR1RETALKFLT3STK17B | |
| SCHEMBL28531506 | 0.80 | RET (0.36) | NPSR1RETALKFLT3MEN1 | |
| SCHEMBL29634201 | 0.80 | RET (0.36) | NPSR1RETALKFLT3MEN1 | |
| SCHEMBL29634204 | 0.77 | CYP3A4 (0.48) | MEN1KMT2AALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL28520051 | 0.77 | CYP3A4 (0.48) | MEN1KMT2AALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL29770999 | 0.73 | ALDH1A1 (0.61) | MEN1KMT2AFTORPS6KA3ALDH1A1 | |
| SCHEMBL28523381 | 0.72 | ALDH1A1 (0.64) | MEN1KMT2AFTOALDH1A1MAPK1 | |
| SCHEMBL28738398 | 0.67 | PARP1 (0.43) | NPSR1RETALKFLT3STK17B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022160138-A1 | BENZOXAZINE-4-ONE COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 承德医学院 | 2022-08-04 | — | — | WO | disclosed |
| CN-112442022-B | Benzoxazine-4-ketone compound, preparation method and medical application thereof | 承德医学院 | 2022-05-20 | — | — | CN | disclosed |