Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | GSTP1 | P09211 | 2/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.45 |
| ▸ | TUBB | P07437 | 1/20 | 0.45 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.45 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.45 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28221485 | 0.86 | GSTP1 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL6112483 | 0.84 | ABCG2 (0.48) | MAPTCYP2A6KDM4EALDH1A1MAPK1 | |
| SCHEMBL16082559 | 0.83 | ALDH1A1 (0.54) | CYP1A2ERN1MAPTCYP2A6KDM4E | |
| SCHEMBL1538429 | 0.83 | GSTP1 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL5428014 | 0.81 | NQO1 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL21615656 | 0.80 | GPR84 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL3193310 | 0.79 | GSTP1 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL28824090 | 0.79 | GSTP1 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL16060138 | 0.79 | MAPT (0.50) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 | |
| SCHEMBL25626307 | 0.79 | GSTP1 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C9CYP11B1 |
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-9908840-B2 | Reactions of aromatic substrates with base-activated hydrosilanes-silylations and reductive cleavage | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-03-06 | — | — | US | disclosed |
| WO-2002079207-A2 | TRI-AND BIDENTATE AMIDO LIGANDS PREPARED BY PALLADIUM0 COUPLING AND METALLATION THEREOF TO FORM METAL-AMIDO CATALYSTS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2002-10-10 | — | — | WO | disclosed |