Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSPO | P30536 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10623359 | 0.88 | TSPO (0.46) | TSPOTSHRALDH1A1CYP2C19AOC3 | |
| SCHEMBL9638314 | 0.85 | RAB9A (0.55) | TSPOTSHRALDH1A1CYP2C19AOC3 | |
| SCHEMBL24132731 | 0.82 | CYP2C19 (0.68) | TSPOTSHRALDH1A1CYP2C19AOC3 | |
| SCHEMBL8228982 | 0.82 | CYP2C19 (0.68) | TSHRALDH1A1CYP2C19AOC3NR1H2 | |
| SCHEMBL642317 | 0.81 | CRHBP (0.61) | TSHRALDH1A1CYP2C19AOC3NR1H2 | |
| SCHEMBL11881187 | 0.81 | NR1H2 (0.62) | TSHRALDH1A1CYP2C19AOC3NR1H2 | |
| Hydrochloric Acid SCHEMBL27388371 | 0.79 | CRHBP (0.59) | TSHRALDH1A1CYP2C19AOC3NR1H2 | |
| SCHEMBL19212236 | 0.78 | NR1H2 (0.49) | TSHRALDH1A1CYP2C19AOC3NR1H2 | |
| SCHEMBL28819180 | 0.78 | TSHR (0.48) | TSHRALDH1A1CYP2C19AOC3NR1H2 | |
| SCHEMBL8565485 | 0.78 | TSHR (0.48) | TSHRALDH1A1CYP2C19AOC3NR1H2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1390340-A4 | COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS | MASSACHUSETTS INST TECHNOLOGY (US) | 2007-07-25 | — | — | EP | disclosed |
| EP-1390340-A1 | COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002085838-A1 | COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2002-10-31 | — | — | WO | disclosed |