Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 1.00 |
| ▸ | NPC1 | O15118 | 6/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 1.00 |
| ▸ | RAB9A | P51151 | 5/20 | 1.00 |
| ▸ | HPGD | P15428 | 5/20 | 1.00 |
| ▸ | MAPT | P10636 | 4/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 1.00 |
| ▸ | CASP3 | P42574 | 1/20 | 1.00 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 1.00 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 1.00 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 1.00 |
| ▸ | MAOA | P21397 | 2/20 | 0.83 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL2161251 | 1.00 | ALDH1A1 (1.00) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL7331388 | 0.93 | KDM4E (0.86) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL16477276 | 0.91 | MAPT (0.83) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL394209 | 0.91 | MAOA (1.00) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL24688956 | 0.90 | ALDH1A1 (0.81) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL16480054 | 0.90 | KDM4E (0.81) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL570670 | 0.90 | KDM4E (0.81) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL20317207 | 0.88 | NPC1 (0.78) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL20329616 | 0.88 | KDM4E (0.78) | ALDH1A1NPC1KDM4ERAB9AHPGD | |
| SCHEMBL20329731 | 0.88 | KDM4E (0.78) | ALDH1A1NPC1KDM4ERAB9AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022088911-A1 | BENZOPHENANTHRENE DERIVATIVE AND APPLICATION THEREOF | 北京八亿时空液晶科技股份有限公司 | 2022-05-05 | — | — | WO | disclosed |