Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 5/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 3/20 | 0.31 |
| ▸ | NOS1 | P29475 | 3/20 | 0.31 |
| ▸ | NOS2 | P35228 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | ACACA | Q13085 | 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 | |
|---|---|---|---|---|
| SCHEMBL7739198 | 1.00 | NR1H2 (0.39) | NR1H2NR1H3LMNATAS1R3TAS1R1 | |
| SCHEMBL7738406 | 0.88 | NR1H2 (0.40) | NR1H2NR1H3ACACBALDH1A1MEN1 | |
| SCHEMBL7738402 | 0.77 | NOS2 (0.43) | NR1H2NR1H3ALDH1A1KMT2ACYP2C9 | |
| SCHEMBL7738409 | 0.77 | NOS2 (0.43) | NR1H2NR1H3ALDH1A1KMT2ACYP2C9 | |
| SCHEMBL7739191 | 0.76 | NR1H2 (0.39) | NR1H2NR1H3ALDH1A1MEN1KMT2A | |
| SCHEMBL28435892 | 0.74 | ACACB (0.40) | LMNAACACBALDH1A1MEN1KMT2A | |
| SCHEMBL7737551 | 0.71 | NR1H2 (0.39) | NR1H2NR1H3MAPT | |
| SCHEMBL7732396 | 0.70 | NR1H2 (0.53) | NR1H2NR1H3ALDH1A1NOS3NOS1 | |
| SCHEMBL7737542 | 0.69 | NR1H2 (0.49) | NR1H2NR1H3ALDH1A1GAAMEN1 | |
| SCHEMBL7739181 | 0.69 | NR1H2 (0.41) | NR1H2NR1H3 |
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 |