Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 6/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL4483616 | 1.00 | CYP3A4 (0.49) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL11280835 | 0.95 | CYP3A4 (0.44) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL1787452 | 0.81 | CYP3A4 (0.54) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL694663 | 0.80 | TAAR1 (0.63) | CYP3A4LMNAACHEPARP1TAAR1 | |
| SCHEMBL694664 | 0.80 | TAAR1 (0.63) | CYP3A4LMNAACHEPARP1TAAR1 | |
| SCHEMBL10351327 | 0.80 | CYP3A4 (0.61) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL3156480 | 0.78 | SLC7A5 (0.59) | CYP3A4LMNA | |
| SCHEMBL9362791 | 0.76 | CYP3A4 (0.59) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL31525960 | 0.76 | CYP3A4 (0.59) | CYP3A4LMNAACHEPARP1MEN1 | |
| SCHEMBL3339215 | 0.76 | CYP3A4 (0.59) | CYP3A4LMNAACHEPARP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4343796-A | 2,3-Bis-hydroxybenzyl-derivatives | AKZO NV (NL) | 1982-08-10 | — | — | US | disclosed |
| EP-0043150-A1 | Pharmaceutical 2,3 -bis-hydroxybenzyl butane derivatives | AKZO N.V. (NL) | 1982-01-06 | — | — | EP | disclosed |