Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.66 |
| ▸ | MEN1 | O00255 | 3/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.66 |
| ▸ | MAPT | P10636 | 2/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.66 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.66 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | FLT3 | P36888 | 1/20 | 0.65 |
| ▸ | MAOB | P27338 | 2/20 | 0.64 |
| ▸ | ACHE | P22303 | 1/20 | 0.64 |
| ▸ | AR | P10275 | 1/20 | 0.63 |
| ▸ | PDE4A | P27815 | 2/20 | 0.58 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.58 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL21644528 | 1.00 | ABCG2 (0.66) | ABCG2MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL19086304 | 0.86 | ABCG2 (0.78) | ABCG2MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL19086305 | 0.86 | ABCG2 (0.78) | ABCG2MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL21644519 | 0.81 | PDE4A (0.64) | ABCG2MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL30779527 | 0.81 | PDE4A (0.64) | ABCG2MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL25217986 | 0.80 | ABCG2 (1.00) | ABCG2MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL633470 | 0.80 | ABCG2 (1.00) | ABCG2MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL633469 | 0.80 | ABCG2 (1.00) | ABCG2MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL30383806 | 0.80 | ABCG2 (1.00) | ABCG2MEN1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL21678067 | 0.79 | MAPT (0.58) | ABCG2MEN1KMT2AMAPTSMN1; SMN2 |
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-111164074-B | Heat shock protein 90 inhibitors | 台北医学大学 | 2024-02-02 | — | — | CN | disclosed |