Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18996002 | 0.89 | CYP1A2 (0.41) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL14587552 | 0.88 | CYP1A2 (0.41) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL14587551 | 0.86 | CYP1A2 (0.48) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL18663739 | 0.72 | — | — | |
| SCHEMBL12257167 | 0.72 | IAPP (0.41) | KDM4EALDH1A1 | |
| SCHEMBL14401623 | 0.72 | IAPP (0.41) | KDM4EALDH1A1 | |
| SCHEMBL16465663 | 0.71 | — | — | |
| SCHEMBL16465661 | 0.71 | — | — | |
| SCHEMBL1415277 | 0.71 | — | — | |
| SCHEMBL23847131 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-59005138-A | — | — | None | — | — | JP | disclosed |
| JP-S595138-A | PREPARATION OF 2-PROPARGYL-3-METHYL-4-HYDROXY-2- CYCLOPENTENONE | SUMITOMO CHEM CO LTD | 1984-01-12 | — | — | JP | disclosed |