Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.59 |
| ▸ | TGM2 | P21980 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.52 |
| ▸ | PRKCG | P05129 | 1/20 | 0.52 |
| ▸ | PRKACA | P17612 | 1/20 | 0.52 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | AKT1 | P31749 | 1/20 | 0.52 |
| ▸ | GSK3A | P49840 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11775423 | 0.85 | TGM2 (0.71) | TGM2HPGDLMNARAB9ATP53 | |
| SCHEMBL17744942 | 0.83 | HDAC6 (0.68) | HDAC6HDAC2HDAC8HPGDLMNA | |
| SCHEMBL29635001 | 0.82 | TGM2 (0.66) | TGM2LMNACA2 | |
| SCHEMBL11900090 | 0.81 | HDAC6 (0.85) | HDAC6HDAC2HDAC8HPGDLMNA | |
| SCHEMBL18601428 | 0.79 | KMT2A (0.68) | HDAC6HDAC2HDAC8HPGDLMNA | |
| SCHEMBL28648926 | 0.79 | HDAC6 (0.70) | HDAC6HDAC2HDAC8HPGDLMNA | |
| SCHEMBL29157753 | 0.79 | TGM2 (0.70) | TGM2LMNACA2POLB | |
| Hydrochloric Acid SCHEMBL27676561 | 0.78 | NSD2 (0.50) | TGM2HPGDLMNAKDM4E | |
| SCHEMBL40744 | 0.78 | TGM2 (0.68) | TGM2HPGDLMNATSHR | |
| SCHEMBL17327878 | 0.78 | TGM2 (0.63) | TGM2LMNARAB9AKDM4EPOLB |
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-109438279-B | Small molecule compound for overcoming EGFR drug-resistant mutation and preparation method and application thereof | 四川大学 | 2021-08-31 | — | — | CN | disclosed |