Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 6/20 | 0.43 |
| ▸ | THRA | P10827 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28384198 | 0.83 | ESR1 (0.48) | MEN1KMT2AESR1ADRA2AADORA3 | |
| SCHEMBL7131899 | 0.81 | KAT8 (0.52) | THRBTHRAMEN1KMT2ACNR2 | |
| SCHEMBL3194780 | 0.81 | KAT8 (0.52) | THRBTHRAMEN1KMT2ACNR2 | |
| SCHEMBL12802011 | 0.80 | THRA (0.42) | THRBTHRAMEN1KMT2ACNR2 | |
| SCHEMBL12802017 | 0.80 | THRA (0.42) | THRBTHRAMEN1KMT2ACNR2 | |
| SCHEMBL21359988 | 0.79 | CNR2 (0.53) | CNR2ALDH1A1 | |
| SCHEMBL9311279 | 0.77 | THRB (0.56) | THRBTHRAMEN1KMT2AESR1 | |
| SCHEMBL3399454 | 0.77 | THRB (0.50) | THRBTHRAMEN1KMT2ACNR2 | |
| SCHEMBL28703805 | 0.76 | THRB (0.45) | THRBTHRAMEN1KMT2ACNR2 | |
| SCHEMBL6801310 | 0.75 | THRB (0.57) | THRBTHRAMEN1KMT2AESR1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000271-A | — | — | None | — | — | JP | disclosed |
| JP-H02271-A | PHENOL ALKYLTHIOLATION AND ITS APPLICATION TO SYNTHESIS OF 4-ACYL-2-ALKYLTHIOPHENOLS | SOC NATL ELF AQUITAINE <SNEA> | 1990-01-05 | — | — | JP | disclosed |