Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | RXRA | P19793 | 2/20 | 0.36 |
| ▸ | RXRB | P28702 | 2/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.36 |
| ▸ | RXRG | P48443 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11741944 | 0.84 | SRC (0.52) | SRCPTGS1AKR1B1SMN1; SMN2RXRA | |
| SCHEMBL27544857 | 0.78 | GABRA1 (0.36) | SMN1; SMN2MAPK1GABRA1GABRB2MAPT | |
| SCHEMBL6390178 | 0.77 | AKR1B1 (0.55) | PTGS1PTGDRPTGDR2AKR1B1GABRA1 | |
| SCHEMBL28532363 | 0.76 | PTGDR (0.42) | SRCPTGDRPTGDR2AKR1B1CYP26A1 | |
| SCHEMBL1257818 | 0.76 | SMN1; SMN2 (0.54) | SRCPTGS1AKR1B1SMN1; SMN2RXRA | |
| Lithium SCHEMBL29605661 | 0.76 | AKR1B1 (0.53) | PTGS1PTGDRPTGDR2AKR1B1GABRA1 | |
| SCHEMBL4316249 | 0.75 | MAPK1 (0.36) | MAPK1GABRA1GABRB2MEN1KMT2A | |
| SCHEMBL8418480 | 0.75 | CAMK2A (0.46) | AKR1B1GABRA1GABRB2MEN1KMT2A | |
| SCHEMBL2002927 | 0.75 | AKR1B1 (0.52) | SRCPTGS1AKR1B1SMN1; SMN2RXRA | |
| SCHEMBL7752469 | 0.75 | GABRA1 (0.52) | PTGS1AKR1B1RXRAGABRA1GABRB2 |
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 |