Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 6/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | SMYD2 | Q9NRG4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9735944 | 0.89 | MMP12 (0.37) | ADRB2ADRB1ADRB3CYP3A4HTT | |
| SCHEMBL29064066 | 0.89 | MMP12 (0.37) | ADRB2ADRB1ADRB3CYP3A4HTT | |
| SCHEMBL10584182 | 0.88 | ADRB2 (0.35) | ADRB2ADRB1ADRB3CYP3A4HTT | |
| SCHEMBL3911872 | 0.88 | PTPRC (0.35) | ADRB2ADRB1ADRB3CYP3A4HTT | |
| SCHEMBL7870032 | 0.85 | ADRB2 (0.38) | ADRB2ADRB1ADRB3CYP3A4HTT | |
| SCHEMBL13345438 | 0.85 | ADRB2 (0.38) | ADRB2ADRB1ADRB3CYP3A4HTT | |
| SCHEMBL7870035 | 0.85 | ADRB2 (0.38) | ADRB2ADRB1ADRB3CYP3A4HTT | |
| SCHEMBL24312400 | 0.83 | CYP2D6 (0.38) | ADRB2ADRB1ADRB3CYP3A4HTT | |
| SCHEMBL9735825 | 0.83 | MMP12 (0.35) | ADRB2ADRB1ADRB3CYP3A4HTT | |
| SCHEMBL22321276 | 0.82 | ATM (0.33) | CYP3A4HTTSMN1; SMN2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5093363-A | Antilipemic agents | SHIONOGI & CO., LTD. (JP) | 1992-03-03 | — | — | US | disclosed |
| EP-0414206-A2 | 2,4,6-Substituted phenol derivatives | SHIONOGI & CO., LTD. (JP) | 1991-02-27 | — | — | EP | disclosed |
| US-4977279-A | Anticholesterol agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-12-11 | — | — | US | disclosed |
| US-4970313-A | Optically active 3-demethylmevalonic acid derivatives, and intermediates | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-11-13 | — | — | US | disclosed |