Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIMK1 | P53667 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23352159 | 0.88 | LIMK1 (0.46) | LIMK1EPHX2NPC1RAB9AALDH1A1 | |
| SCHEMBL3365784 | 0.86 | EPHX2 (0.45) | LIMK1EPHX2NPC1RAB9AALDH1A1 | |
| SCHEMBL28899309 | 0.83 | NPC1 (0.58) | EPHX2NPC1RAB9AALDH1A1CYP3A4 | |
| SCHEMBL1983309 | 0.83 | AKR1C3 (0.53) | EPHX2NPC1RAB9AALDH1A1CYP3A4 | |
| SCHEMBL3394380 | 0.82 | ALDH1A1 (0.59) | EPHX2NPC1RAB9AALDH1A1CYP3A4 | |
| SCHEMBL14645574 | 0.81 | AR (0.50) | ATMNPSR1MEN1KMT2A | |
| SCHEMBL5460005 | 0.81 | MAPK10 (0.53) | EPHX2NPC1RAB9AALDH1A1CYP3A4 | |
| SCHEMBL22979384 | 0.81 | KDM4E (0.51) | EPHX2NPC1RAB9AALDH1A1CYP3A4 | |
| SCHEMBL5729973 | 0.81 | EPHX2 (0.48) | EPHX2NPC1RAB9AALDH1A1CYP3A4 | |
| SCHEMBL14519861 | 0.80 | NPC1 (0.60) | NPC1RAB9ATP53ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4174069-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | Wuhan LL Science and Technology Development Co., Ltd. (CN) | 2023-05-03 | — | — | EP | disclosed |