Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | EPHB4 | P54760 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29970593 | 0.85 | POLB (0.49) | MAPTKMT2AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL29826541 | 0.70 | FABP3 (0.41) | TSHRMAPTKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL6928146 | 0.70 | ABCG2 (0.39) | TSHRSMN1; SMN2LMNA | |
| SCHEMBL31462304 | 0.69 | RET (0.39) | — | |
| SCHEMBL10845083 | 0.67 | NPC1 (0.46) | KMT2AKDM4EALDH1A1MEN1GAA | |
| Hydrochloric Acid SCHEMBL29076304 | 0.66 | HSP90AB1 (0.35) | TSHRMAPTKDM4EALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL30668517 | 0.66 | HSP90AB1 (0.35) | TSHRMAPTKDM4EALDH1A1MAPK1 | |
| SCHEMBL11837274 | 0.66 | TSHR (0.80) | TSHRMAPTKMT2AKDM4EALDH1A1 | |
| SCHEMBL20511259 | 0.65 | TSHR (0.51) | TSHRMAPTKMT2AKDM4EALDH1A1 | |
| SCHEMBL20511099 | 0.65 | TSHR (0.51) | TSHRMAPTKMT2AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022242321-A1 | PI3Kα SELECTIVE INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 中国药科大学 | 2022-11-24 | — | — | WO | disclosed |