Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL379314 | 0.88 | TDP1 (0.45) | CYP3A4TDP1TSHRESR1ESR2 | |
| Methane SCHEMBL27965213 | 0.83 | CYP3A4 (0.41) | CYP3A4TDP1TSHRESR1ESR2 | |
| SCHEMBL31474895 | 0.72 | TSHR (0.35) | CYP3A4TDP1TSHR | |
| Butane SCHEMBL28244852 | 0.72 | CYP3A4 (0.71) | CYP3A4TDP1TP53TSHRESR1 | |
| Butane SCHEMBL27989459 | 0.72 | CYP3A4 (0.71) | CYP3A4TDP1TP53TSHRESR1 | |
| Chlorobenzene SCHEMBL11508402 | 0.69 | TSHR (0.69) | TP53TSHRSIGMAR1ALDH1A1 | |
| Butane SCHEMBL9414099 | 0.69 | CYP3A4 (0.41) | CYP3A4TDP1TP53ESR1ESR2 | |
| Butane SCHEMBL10585306 | 0.69 | CYP3A4 (0.41) | CYP3A4TDP1TP53ESR1ESR2 | |
| Butane SCHEMBL8167331 | 0.69 | CYP3A4 (0.41) | CYP3A4TDP1TP53ESR1ESR2 | |
| Butane SCHEMBL7041554 | 0.67 | TDP1 (0.46) | CYP3A4TDP1TP53ESR1ESR2 |
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-0409634-A2 | Liquid crystal compounds and optically active compounds | SANYO CHEMICAL INDUSTRIES LTD. (JP) | 1991-01-23 | — | — | EP | disclosed |