Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 7/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL26828942 | 0.83 | MCHR1 (0.50) | NR1H4ALDH1A1NPC1RAB9AMAPT | |
| SCHEMBL26897513 | 0.82 | NR1H4 (0.48) | NR1H4ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL24628454 | 0.82 | MCHR1 (0.50) | NR1H4MAPT | |
| SCHEMBL24628824 | 0.81 | SIRT2 (0.53) | NR1H4ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL26829283 | 0.77 | MAPT (0.49) | NR1H4ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL24628602 | 0.75 | MEN1 (0.67) | ALDH1A1NPC1RAB9ATP53MAPT | |
| SCHEMBL26815658 | 0.75 | RAB9A (0.66) | ALDH1A1NPC1RAB9ATP53MAPT | |
| SCHEMBL21768134 | 0.75 | THRB (0.61) | NR1H4ALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11550139 | 0.73 | NR1H4 (0.81) | NR1H4NPC1RAB9AMAPTMEN1 | |
| SCHEMBL595158 | 0.71 | MAOB (0.64) | NR1H4ALDH1A1NPC1RAB9AMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-4276092-A1 | COMPOUND LIBRARY | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2023-11-15 | — | — | EP | disclosed |
| WO-2022149617-A1 | COMPOUND LIBRARY | 中外製薬株式会社 | 2022-07-14 | — | — | WO | disclosed |