Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738406 | 0.85 | NR1H2 (0.40) | NR1H2NR1H3MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL2521345 | 0.77 | NPC1 (0.45) | MEN1KMT2ASMN1; SMN2ALDH1A1ESR1 | |
| SCHEMBL7739198 | 0.76 | NR1H2 (0.39) | NR1H2NR1H3MEN1KMT2AALDH1A1 | |
| SCHEMBL7739187 | 0.76 | NR1H2 (0.39) | NR1H2NR1H3MEN1KMT2AALDH1A1 | |
| SCHEMBL7737551 | 0.71 | NR1H2 (0.39) | NR1H2NR1H3SMN1; SMN2MAPT | |
| SCHEMBL7738427 | 0.70 | NR1H2 (0.53) | NR1H2NR1H3KMT2ASMN1; SMN2ALDH1A1 | |
| SCHEMBL7739199 | 0.70 | HPGD (0.55) | NR1H2NR1H3SMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL7739181 | 0.69 | NR1H2 (0.41) | NR1H2NR1H3 | |
| SCHEMBL7738432 | 0.69 | MEN1 (0.30) | MEN1KMT2AALDH1A1 | |
| SCHEMBL7738441 | 0.68 | AKR1B1 (0.32) | 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-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 |