Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ACACB | O00763 | 1/20 | 0.50 |
| ▸ | ACACA | Q13085 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27764271 | 1.00 | ALDH1A1 (0.61) | ALDH1A1KDM4ENPC1CYP3A4CYP2C9 | |
| SCHEMBL9046891 | 0.89 | ALDH1A1 (0.54) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8134776 | 0.89 | ALDH1A1 (0.54) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8701763 | 0.89 | ALDH1A1 (0.54) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9267275 | 0.83 | ACACB (0.62) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL14971949 | 0.82 | ACACB (0.49) | ALDH1A1NPC1ACACBACACAFAAH | |
| SCHEMBL12132475 | 0.77 | FAAH (0.52) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL26051514 | 0.77 | SLC1A3 (0.54) | ALDH1A1KDM4ENPC1CYP3A4CYP2C9 | |
| SCHEMBL23000164 | 0.77 | HTT (0.62) | ALDH1A1KDM4ENPC1CYP3A4CYP2C9 | |
| SCHEMBL4451432 | 0.77 | HTT (0.62) | ALDH1A1KDM4ENPC1CYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020042972-A1 | UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE AND QUINAZOLINE OR QUINOLINE COMPOUND, COMPOSITION AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2020-03-05 | — | — | WO | disclosed |