Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.44 |
| ▸ | UBE2M | P61081 | 2/20 | 0.42 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10446781 | 0.92 | UBE2M (0.47) | PKMHTTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL10447008 | 0.91 | UBE2M (0.46) | PKMHTTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL10446676 | 0.88 | HTT (0.43) | PKMHTTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL10447005 | 0.88 | MEN1 (0.52) | PKMHTTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL9756708 | 0.88 | PKM (0.44) | PKMHTTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL10447047 | 0.87 | HTT (0.42) | PKMHTTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL10447090 | 0.87 | HTT (0.45) | PKMHTTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL10446783 | 0.86 | RAB9A (0.44) | PKMHTTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL10446762 | 0.85 | UBE2M (0.52) | PKMHTTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL10446788 | 0.84 | UBE2M (0.44) | PKMHTTTAS1R3TAS1R1TAS1R2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0399422-A1 | Benzocycloalkane derivatives and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1990-11-28 | — | — | EP | disclosed |