Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 9/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.50 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4282126 | 0.84 | ABCG2 (0.69) | MAOAKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL1534501 | 0.83 | MAOA (0.57) | MAOAKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL29129504 | 0.82 | CYP1A1 (0.53) | KDM4EALDH1A1NPC1RAB9AABCG2 | |
| SCHEMBL29129594 | 0.81 | ABCG2 (0.44) | MAOAKDM4EALDH1A1LMNAABCG2 | |
| SCHEMBL29129586 | 0.78 | ABCG2 (0.43) | KDM4EALDH1A1LMNAABCG2ABCC1 | |
| SCHEMBL29129512 | 0.78 | TTR (0.46) | KDM4EALDH1A1LMNAABCG2ABCC1 | |
| SCHEMBL25790311 | 0.78 | MAOA (0.49) | MAOAKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL31234378 | 0.76 | KDM4E (0.52) | MAOAKDM4EALDH1A1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL31572317 | 0.75 | KDM4E (0.51) | MAOAKDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL29129562 | 0.75 | ABCG2 (0.41) | KDM4EALDH1A1LMNAABCG2ABCC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117247370-A | Method for synthesizing thioflavonoids based on alkyne thiocarboxyl | 四川大学 | 2023-12-19 | — | — | CN | disclosed |