Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 6/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1699965 | 1.00 | HTT (0.48) | HTTLMNANPC1RAB9AALDH1A1 | |
| SCHEMBL1700194 | 1.00 | HTT (0.48) | HTTLMNANPC1RAB9AALDH1A1 | |
| SCHEMBL1699986 | 0.94 | HTT (0.45) | HTTLMNANPC1RAB9AALDH1A1 | |
| SCHEMBL16037474 | 0.94 | HTT (0.45) | HTTLMNANPC1RAB9AALDH1A1 | |
| SCHEMBL16037787 | 0.92 | HTT (0.53) | HTTLMNANPC1RAB9AALDH1A1 | |
| SCHEMBL523814 | 0.87 | HTT (0.52) | HTTLMNANPC1RAB9AALDH1A1 | |
| SCHEMBL27671287 | 0.86 | ALDH1A1 (0.53) | HTTLMNANPC1RAB9AALDH1A1 | |
| SCHEMBL1699977 | 0.82 | CA2 (0.44) | HTTLMNANPC1RAB9AALDH1A1 | |
| SCHEMBL16037934 | 0.82 | CA2 (0.44) | HTTLMNANPC1RAB9AALDH1A1 | |
| SCHEMBL16037370 | 0.82 | CA2 (0.44) | HTTLMNANPC1RAB9AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109897038-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维爱尔兰无限公司 | 2022-04-05 | — | — | CN | disclosed |
| CN-108175749-B | Melt-extruded solid dispersions containing apoptosis-inducing agents | 艾伯维爱尔兰无限公司 | 2021-09-10 | — | — | CN | disclosed |