Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | BCR | P11274 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25406296 | 0.86 | CD274 (0.61) | CD274KCNH2RYR2ASIC3 | |
| SCHEMBL31070521 | 0.84 | CD274 (0.63) | ABL1ABCB1BCRCD274CYP3A4 | |
| SCHEMBL31463242 | 0.84 | KCNH2 (0.54) | CHRNB2CHRNA4CD274MAPK1KCNH2 | |
| SCHEMBL330398 | 0.84 | KCNH2 (0.54) | CHRNB2CHRNA4CD274MAPK1KCNH2 | |
| Hydrochloric Acid SCHEMBL3126387 | 0.82 | KCNH2 (0.53) | CHRNB2CHRNA4CD274MAPK1KCNH2 | |
| Hydrochloric Acid SCHEMBL29627951 | 0.82 | KCNH2 (0.53) | CHRNB2CHRNA4CD274MAPK1KCNH2 | |
| Hydrochloric Acid SCHEMBL16637691 | 0.81 | KCNH2 (0.51) | CHRNB2CHRNA4CD274MAPK1KCNH2 | |
| SCHEMBL31070520 | 0.77 | ADORA1 (0.46) | CD274MAPK1SMN1; SMN2CYP3A4ADORA1 | |
| SCHEMBL13358868 | 0.77 | CYP3A4 (0.55) | ABL1ABCB1BCRNPC1TP53 | |
| SCHEMBL18932233 | 0.77 | CYP3A4 (0.55) | ABL1ABCB1BCRNPC1TP53 |
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-118515600-A | Isoindoline compound and medical application thereof | 中国科学院上海药物研究所 | 2024-08-20 | — | — | CN | disclosed |