Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7737549 | 1.00 | NR1H2 (0.39) | NR1H2NR1H3PTGS1ALDH1A1TP53 | |
| SCHEMBL7739139 | 0.83 | NR1H2 (0.40) | NR1H2NR1H3ALDH1A1SMN1; SMN2 | |
| SCHEMBL7739143 | 0.83 | NR1H2 (0.40) | NR1H2NR1H3ALDH1A1SMN1; SMN2 | |
| SCHEMBL7732429 | 0.71 | NR1H2 (0.50) | NR1H2NR1H3ALDH1A1TP53CYP3A4 | |
| SCHEMBL7738394 | 0.71 | MEN1 (0.31) | ALDH1A1 | |
| SCHEMBL7738387 | 0.71 | MEN1 (0.31) | ALDH1A1 | |
| SCHEMBL7736591 | 0.70 | KDM4E (0.36) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL7736594 | 0.70 | KDM4E (0.36) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL7738402 | 0.70 | NOS2 (0.43) | NR1H2NR1H3ALDH1A1TSHR | |
| SCHEMBL7738409 | 0.70 | NOS2 (0.43) | NR1H2NR1H3ALDH1A1TSHR |
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-6416861-B1 | COMBINATORIAL CHEMISTRY | NORTHWESTERN UNIVERSITY | 2002-07-09 | — | — | US | disclosed |
| WO-2000049022-A2 | ORGANOSILICON COMPOUNDS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2000-08-24 | — | — | WO | disclosed |