Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL9059100 | 1.00 | TSHR (0.45) | TSHRRAB9APOLBKCNA5CYP2D6 | |
| SCHEMBL26620700 | 0.81 | CYP3A4 (0.47) | TSHRRAB9APOLBKCNA5CYP2D6 | |
| SCHEMBL24316290 | 0.77 | RAB9A (0.46) | TSHRRAB9APOLBKCNA5CYP2D6 | |
| SCHEMBL6226578 | 0.76 | TSHR (0.55) | TSHRKCNA5CYP2D6KCNE1CHRM5 | |
| SCHEMBL347926 | 0.74 | TSHR (0.52) | TSHRKCNA5CYP2D6KCNE1CHRM2 | |
| SCHEMBL12259311 | 0.73 | TSHR (0.52) | TSHRKCNA5CYP2D6KCNE1CHRM5 | |
| SCHEMBL11613461 | 0.72 | NPSR1 (0.46) | TSHRRAB9APOLBKCNA5CHRM5 | |
| Hydrochloric Acid SCHEMBL11613384 | 0.71 | NPSR1 (0.44) | TSHRRAB9APOLBKCNA5CHRM5 | |
| SCHEMBL27724633 | 0.71 | TSHR (0.48) | TSHRPOLBKCNA5CYP2D6KCNE1 | |
| SCHEMBL15883099 | 0.70 | TSHR (0.53) | TSHRKCNA5CYP2D6KCNE1CHRM5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0536151-B1 | ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM | BOOTS CO PLC (GB) | 1994-09-14 | — | — | EP | claimed |
| CN-1072173-A | Therapeutical agent | BOOTS CO PLC (GB) | 1993-05-19 | — | — | CN | disclosed |