Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.32 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.30 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28621312 | 1.00 | ALDH1A1 (0.33) | ALDH1A1PKMHTR4EHMT2HRH3 | |
| SCHEMBL28621310 | 1.00 | ALDH1A1 (0.33) | ALDH1A1PKMHTR4EHMT2HRH3 | |
| SCHEMBL1179409 | 0.96 | CHRM2 (0.35) | ALDH1A1PKMHTR4EHMT2HRH3 | |
| SCHEMBL13444802 | 0.88 | HTR4 (0.36) | HTR4EHMT2HRH3PDE7ACHRM2 | |
| SCHEMBL1180390 | 0.88 | EHMT2 (0.35) | EHMT2KDM2BCHRM2CHRM4CHRM1 | |
| SCHEMBL21386066 | 0.86 | HRH4 (0.34) | HRH3CHRM1HRH4 | |
| SCHEMBL28624781 | 0.82 | KAT2B (0.37) | HRH4 | |
| SCHEMBL28624784 | 0.82 | KAT2B (0.37) | HRH4 | |
| SCHEMBL725303 | 0.82 | DPP4 (0.38) | HRH3HRH4 | |
| SCHEMBL1180400 | 0.82 | HRH4 (0.33) | ALDH1A1PDE7AHRH4 |
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 |