Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21644533 | 1.00 | SMN1; SMN2 (0.53) | SMN1; SMN2ALDH1A1MEN1KMT2AUSP2 | |
| SCHEMBL21644634 | 0.80 | BCL2 (0.69) | SMN1; SMN2ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL10864926 | 0.79 | KMT2A (0.77) | SMN1; SMN2MEN1KMT2AUSP2POLB | |
| SCHEMBL21644658 | 0.78 | HPGD (0.52) | ALDH1A1MEN1KMT2AHSP90AA1HSP90AB1 | |
| SCHEMBL21644546 | 0.78 | P2RX1 (0.56) | SMN1; SMN2MEN1KMT2APOLBRAB9A | |
| SCHEMBL21644609 | 0.77 | SMN1; SMN2 (0.54) | SMN1; SMN2MEN1KMT2ARAB9AHTT | |
| SCHEMBL2701324 | 0.76 | HTT (0.76) | SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A | |
| SCHEMBL21644645 | 0.75 | KDR (0.66) | SMN1; SMN2MEN1KMT2APOLBRAB9A | |
| SCHEMBL21644672 | 0.74 | HTT (0.54) | SMN1; SMN2ALDH1A1MEN1KMT2AUSP2 | |
| SCHEMBL21644553 | 0.74 | PABPC1 (0.56) | SMN1; SMN2ALDH1A1MEN1KMT2APOLB |
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 |