Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MYC | P01106 | 4/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2496346 | 0.83 | CYP1A2 (0.41) | CYP1A2TSHRCASP1SMN1; SMN2MYC | |
| SCHEMBL10625935 | 0.81 | ALDH1A1 (0.37) | CYP1A2TSHRCASP1SMN1; SMN2MYC | |
| SCHEMBL29814908 | 0.81 | CLCN2 (0.47) | CYP1A2TSHRCASP1SMN1; SMN2MYC | |
| SCHEMBL1834641 | 0.81 | CLCN2 (0.47) | CYP1A2TSHRCASP1SMN1; SMN2MYC | |
| SCHEMBL4670497 | 0.81 | TSHR (0.52) | CYP1A2TSHRCASP1SMN1; SMN2MYC | |
| SCHEMBL28873539 | 0.81 | ALOX15 (0.34) | NR4A1ALDH1A1MEN1LMNATTR | |
| SCHEMBL31335879 | 0.79 | CA1 (0.48) | CYP1A2TSHRCASP1SMN1; SMN2MYC | |
| SCHEMBL1398470 | 0.79 | CA1 (0.48) | CYP1A2TSHRCASP1SMN1; SMN2MYC | |
| SCHEMBL3116286 | 0.79 | TSHR (0.45) | CYP1A2TSHRCASP1SMN1; SMN2MYC | |
| SCHEMBL106326 | 0.78 | ALDH1A1 (0.45) | SMN1; SMN2ALDH1A1MEN1LMNAADRA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005017185-A2 | HEPATOCYTE NUCLEAR FACTOR 4α MODULATOR COMPOUNDS | LIGAND PHARMCEUTICALS INCORPORATED (US) | 2005-02-24 | — | — | WO | disclosed |