Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | PDE1A | P54750 | 3/20 | 0.31 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.31 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30189543 | 0.82 | GABRA1 (0.38) | TSHRL3MBTL1HPGDCYP1A2NPC1 | |
| SCHEMBL23565852 | 0.79 | TSHR (0.47) | TSHRNISCHHTTALDH1A1L3MBTL1 | |
| SCHEMBL19039496 | 0.77 | TSHR (0.46) | TSHRNISCHHTTALDH1A1L3MBTL1 | |
| SCHEMBL7772699 | 0.75 | CDC25B (0.46) | HTTALDH1A1L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL29666462 | 0.75 | CDC25B (0.46) | HTTALDH1A1L3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL3708329 | 0.74 | TSHR (0.59) | TSHRNISCHHTTALDH1A1L3MBTL1 | |
| SCHEMBL29573338 | 0.74 | TSHR (0.59) | TSHRNISCHHTTALDH1A1L3MBTL1 | |
| SCHEMBL13981277 | 0.73 | TSHR (0.48) | TSHRNISCHHTTALDH1A1L3MBTL1 | |
| SCHEMBL10134256 | 0.73 | TSHR (0.48) | TSHRNISCHHTTALDH1A1L3MBTL1 | |
| SCHEMBL19058565 | 0.73 | TSHR (0.48) | TSHRNISCHHTTALDH1A1L3MBTL1 |
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-115636890-A | Iron catalyst for selective polymerization of conjugated diolefins with 1,2/3,4 and application thereof | 宁波大学 | 2023-01-24 | — | — | CN | disclosed |