Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 3/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.55 |
| ▸ | CSNK2A2 | P19784 | 10/20 | 0.40 |
| ▸ | CSNK2B | P67870 | 10/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 10/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29639594 | 1.00 | CYP1A1 (0.55) | CYP1A1CYP1B1ABCB1CSNK2A2CSNK2B | |
| SCHEMBL28738865 | 1.00 | CYP1A1 (0.55) | CYP1A1CYP1B1ABCB1CSNK2A2CSNK2B | |
| SCHEMBL28738867 | 0.90 | CYP1A1 (0.56) | CYP1A1CYP1B1ABCB1CSNK2A2CSNK2B | |
| SCHEMBL28738857 | 0.87 | CYP1A1 (0.60) | CYP1A1CYP1B1ABCB1CSNK2A2CSNK2B | |
| SCHEMBL29639590 | 0.85 | CYP1A1 (0.49) | CYP1A1CYP1B1ABCB1KDM4EMAPT | |
| SCHEMBL28738872 | 0.85 | CYP1A1 (0.49) | CYP1A1CYP1B1ABCB1KDM4EMAPT | |
| SCHEMBL29639597 | 0.85 | CYP1A1 (0.49) | CYP1A1CYP1B1ABCB1KDM4EMAPT | |
| SCHEMBL30406675 | 0.80 | CYP1A1 (0.53) | CYP1A1CYP1B1ABCB1KDM4EMAPT | |
| SCHEMBL29639591 | 0.80 | CYP1A1 (0.53) | CYP1A1CYP1B1ABCB1KDM4EMAPT | |
| SCHEMBL29639588 | 0.80 | CYP1A1 (0.53) | CYP1A1CYP1B1ABCB1KDM4EMAPT |
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-114507201-B | Water wampee seed element derivative and preparation method and application thereof | 常州大学 | 2023-06-27 | — | — | CN | disclosed |
| CN-114507201-A | Cortinarius fruit seed derivative and preparation method and application thereof | 常州大学 | 2022-05-17 | — | — | CN | disclosed |