Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13045361 | 1.00 | TSHR (0.47) | TSHRPTGS1PTGS2CYP1A2NFE2L2 | |
| SCHEMBL13892093 | 0.94 | CYP1A2 (0.44) | TSHRCYP1A2NR1H2NR1H3RELA | |
| SCHEMBL14424330 | 0.92 | TSHR (0.56) | TSHRPTGS1PTGS2CYP1A2NFE2L2 | |
| SCHEMBL13636796 | 0.92 | TSHR (0.56) | TSHRPTGS1PTGS2CYP1A2NFE2L2 | |
| SCHEMBL13636804 | 0.92 | TSHR (0.56) | TSHRPTGS1PTGS2CYP1A2NFE2L2 | |
| SCHEMBL9604060 | 0.92 | TSHR (0.56) | TSHRPTGS1PTGS2CYP1A2NFE2L2 | |
| SCHEMBL13358630 | 0.87 | TSHR (0.50) | TSHRPTGS1PTGS2CYP1A2NFE2L2 | |
| SCHEMBL13358765 | 0.87 | TSHR (0.50) | TSHRPTGS1PTGS2CYP1A2NFE2L2 | |
| SCHEMBL10054025 | 0.86 | CYP1A2 (0.39) | CYP1A2NR1H2NR1H3RELARAB9A | |
| SCHEMBL14508552 | 0.86 | CYP1A2 (0.39) | CYP1A2NR1H2NR1H3RELARAB9A |
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-2012013310-A1 | POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS CONTAINING SAID POLYMERS, AND DEVICES CONTAINING SAID POLYMERS OR BLENDS | MERCK PATENT GMBH (DE) | 2012-02-02 | — | — | WO | disclosed |