Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 6/20 | 0.34 |
| ▸ | BCHE | P06276 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28228286 | 0.87 | HPGD (0.49) | HPGDNPC1RAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL28183078 | 0.81 | NPC1 (0.50) | HPGDNPC1RAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL28147613 | 0.81 | NPC1 (0.50) | HPGDNPC1RAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL28228985 | 0.80 | NPC1 (0.49) | HPGDNPC1RAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL28127929 | 0.78 | HPGD (0.44) | HPGDNPC1RAB9ASMN1; SMN2SIGMAR1 | |
| SCHEMBL16452796 | 0.77 | NPC1 (0.46) | HPGDNPC1RAB9ASMN1; SMN2SIGMAR1 | |
| SCHEMBL28148767 | 0.77 | NPSR1 (0.40) | SMN1; SMN2ACHELMNAMEN1KMT2A | |
| SCHEMBL29687292 | 0.76 | ALDH1A1 (0.50) | HPGDNPC1RAB9ASMN1; SMN2SIGMAR1 | |
| SCHEMBL4236497 | 0.75 | HPGD (0.44) | HPGDNPC1RAB9ASMN1; SMN2TRPA1 | |
| SCHEMBL28238177 | 0.75 | SMN1; SMN2 (0.44) | HPGDNPC1RAB9ASMN1; SMN2TRPA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106749046-A | The ketoxime ether derivative of 1,4 pentadiene 3 of one kind containing 4 (3H) quinazolinones and preparation method thereof | 贵州大学 | 2017-05-31 | — | — | CN | claimed |
| CN-106749046-B | One kind containing the 1,4- pentadiene -3- ketoxime ether derivative and preparation method thereof of 4 (3H)-quinazolinones | 贵州大学 | 2019-08-09 | — | — | CN | disclosed |
| CN-106749046-A | The ketoxime ether derivative of 1,4 pentadiene 3 of one kind containing 4 (3H) quinazolinones and preparation method thereof | 贵州大学 | 2017-05-31 | — | — | CN | disclosed |