Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.31 |
| ▸ | XIAP | P98170 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.30 |
| ▸ | ADAM17 | P78536 | 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 | |
|---|---|---|---|---|
| SCHEMBL23739919 | 1.00 | IDO1 (0.36) | IDO1KDRACKR3XIAPPOLB | |
| SCHEMBL23739523 | 0.99 | IDO1 (0.36) | IDO1KDRACKR3XIAPPOLB | |
| SCHEMBL23739830 | 0.97 | IDO1 (0.36) | IDO1KDRACKR3POLBCASP1 | |
| SCHEMBL23739968 | 0.93 | IDO1 (0.37) | IDO1KDRACKR3POLBCASP1 | |
| SCHEMBL23739656 | 0.90 | IDO1 (0.38) | IDO1KDRACKR3POLBCASP1 | |
| SCHEMBL23739529 | 0.88 | ALDH1A1 (0.32) | KDRALDH1A1 | |
| SCHEMBL23739943 | 0.87 | HTR1A (0.31) | IDO1ACKR3 | |
| SCHEMBL23739448 | 0.85 | KCNH2 (0.43) | — | |
| SCHEMBL22788978 | 0.84 | THRB (0.34) | POLBLMNAALDH1A1 | |
| SCHEMBL23739825 | 0.82 | HTR1A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3862348-A1 | ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2021-08-11 | — | — | EP | disclosed |