Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 7/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.39 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27214763 | 0.85 | KIF11 (0.62) | KIF11ALDH1A1ESR1TSHRCYP1A1 | |
| SCHEMBL29152133 | 0.83 | CTSS (0.50) | ALDH1A1MAPTSMN1; SMN2TDP1ADORA1 | |
| SCHEMBL30662436 | 0.83 | KIF11 (0.50) | KIF11ALDH1A1MAPTKDM4EGRIA2 | |
| SCHEMBL22978403 | 0.81 | KIF11 (0.71) | KIF11ALDH1A1ESR1TSHRCYP1A1 | |
| SCHEMBL29152145 | 0.80 | ADORA1 (0.46) | ALDH1A1MAPTADORA1KDM4ECYP1A2 | |
| SCHEMBL29152127 | 0.79 | ALDH1A1 (0.54) | ALDH1A1MAPTADORA1KDM4EMEN1 | |
| SCHEMBL29152131 | 0.79 | ADORA1 (0.44) | KIF11ALDH1A1MAPTSMN1; SMN2TDP1 | |
| SCHEMBL29152134 | 0.78 | AR (0.46) | KIF11ALDH1A1MAPTKDM4ETSHR | |
| SCHEMBL780791 | 0.77 | KIF11 (0.52) | KIF11ALDH1A1ESR1TSHRCYP1A1 | |
| SCHEMBL29152140 | 0.77 | ADORA2A (0.46) | ALDH1A1MAPTSMN1; SMN2ADORA1KDM4E |
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-117164478-A | Method for preparing anthracycline derivative | 苏州大学 | 2023-12-05 | — | — | CN | disclosed |