Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | DGKA | P23743 | 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 | |
|---|---|---|---|---|
| SCHEMBL11538423 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL11537702 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL1482994 | 0.98 | CYP1A2 (0.41) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL11538431 | 0.94 | CYP1A2 (0.36) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL28230165 | 0.91 | CYP1A2 (0.53) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL4446047 | 0.90 | CYP1A2 (0.34) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL28429680 | 0.87 | L3MBTL1 (0.36) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL7203348 | 0.84 | TSHR (0.33) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL28387307 | 0.83 | CYP1A2 (0.42) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL7202525 | 0.82 | TSHR (0.37) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4134812-A | BLENDING WITH TETRAKIS-(METHYLENE-(3,5-DI-T-BUTYL)-4-HYDROXY-HYDROCINNAMATE)-METHANE, CROSSLINKING WITH AN ACETYLENIC COMPOUND | THE FURUKAWA ELECTRIC CO., LTD. (JP) | 1979-01-16 | — | — | US | disclosed |
| US-4113595-A | POLYOLEFIN, ACETYLENIC COMPOUND, SECONDARY AMINE | JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) | 1978-09-12 | — | — | US | disclosed |