Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 7/20 | 0.39 |
| ▸ | BCHE | P06276 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 4/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL29766889 | 0.62 | NPC1 (0.41) | ACHEBCHEMEN1USP2ALDH1A1 | |
| SCHEMBL5188925 | 0.62 | NPC1 (0.41) | ACHEBCHEMEN1USP2ALDH1A1 | |
| SCHEMBL10767417 | 0.62 | HPGD (0.41) | ACHEBCHEMEN1USP2ALDH1A1 | |
| SCHEMBL6738853 | 0.61 | NPC1 (0.40) | ACHEBCHEMEN1USP2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL30528596 | 0.61 | NPC1 (0.44) | ACHEBCHEMEN1USP2ALDH1A1 | |
| SCHEMBL11205511 | 0.61 | PDE3B (0.47) | ACHEBCHEMEN1USP2ALDH1A1 | |
| SCHEMBL11497896 | 0.60 | NPC1 (0.42) | ACHEBCHEMEN1USP2ALDH1A1 | |
| SCHEMBL4725450 | 0.57 | SIGMAR1 (0.42) | ACHEBCHEMEN1USP2ALDH1A1 | |
| SCHEMBL3387188 | 0.56 | ACHE (1.00) | ACHEBCHEMEN1USP2ALDH1A1 | |
| SCHEMBL9538960 | 0.56 | SIGMAR1 (0.41) | ACHEBCHEMEN1USP2ALDH1A1 |
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-3947394-A1 | IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS | Université de Paris (FR) | 2022-02-09 | — | — | EP | claimed |
| WO-2020201096-A1 | IMIDAZOLINE DERIVATIVES AS CXCR4 MODULATORS | Université de Paris (FR) | 2020-10-08 | — | — | WO | claimed |