Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.71 |
| ▸ | PIM1 | P11309 | 11/20 | 0.70 |
| ▸ | PIM2 | Q9P1W9 | 10/20 | 0.70 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.70 |
| ▸ | HPGD | P15428 | 4/20 | 0.68 |
| ▸ | GSK3B | P49841 | 2/20 | 0.68 |
| ▸ | MAOA | P21397 | 2/20 | 0.68 |
| ▸ | RAB9A | P51151 | 2/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | MAOB | P27338 | 1/20 | 0.68 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.66 |
| ▸ | IGF1R | P08069 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL8001434 | 1.00 | AKR1B1 (0.71) | AKR1B1PIM1PIM2PIM3HPGD | |
| SCHEMBL8185403 | 0.86 | MEN1 (0.71) | AKR1B1PIM1PIM2PIM3HPGD | |
| SCHEMBL8185407 | 0.86 | MEN1 (0.71) | AKR1B1PIM1PIM2PIM3HPGD | |
| SCHEMBL8181936 | 0.84 | BRD4 (0.58) | AKR1B1PIM1PIM2PIM3HPGD | |
| SCHEMBL8181933 | 0.84 | BRD4 (0.58) | AKR1B1PIM1PIM2PIM3HPGD | |
| SCHEMBL3910112 | 0.83 | AKR1B1 (1.00) | AKR1B1PIM1PIM2PIM3HPGD | |
| SCHEMBL3910115 | 0.83 | AKR1B1 (1.00) | AKR1B1PIM1PIM2PIM3HPGD | |
| SCHEMBL211085 | 0.82 | PIM1 (1.00) | AKR1B1PIM1PIM2PIM3HPGD | |
| SCHEMBL4862901 | 0.82 | PIM1 (0.72) | AKR1B1PIM1PIM2PIM3HPGD | |
| SCHEMBL2555241 | 0.82 | PIM1 (0.72) | AKR1B1PIM1PIM2PIM3HPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118206542-A | Compound, preparation method thereof and application of compound in preparation of sEH inhibitor and PPARs agonist | 沈阳药科大学 | 2024-06-18 | — | — | CN | disclosed |
| CN-118206473-A | Compound, preparation method thereof and application of compound in preparation of sEH inhibitor and PPARs agonist | 沈阳药科大学 | 2024-06-18 | — | — | CN | disclosed |
| CN-116217511-B | Double-target compound, preparation method thereof and application thereof in preparation of sEH inhibitor and PPARs agonist | 沈阳药科大学 | 2024-04-19 | — | — | CN | disclosed |
| CN-116217511-A | Double-target compound, preparation method thereof and application thereof in preparation of sEH inhibitor and PPARs agonist | 沈阳药科大学 | 2023-06-06 | — | — | CN | disclosed |
| US-6054580-A | STERICALLY HINDERED CROWN COMPOUND LIGAND FOR COMPLEXING WITH TRANSITION METAL AS OXIDATION CATALYST RESISTANT TO OXIDIZER DURING USE | CARNEGIE MELLON UNIVERSITY (US) | 2000-04-25 | — | — | US | disclosed |
| US-6043254-A | ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-03-28 | — | — | US | disclosed |
| US-5847120-A | Long-lived homogenous oxidation catalysts | CARNEGIE MELLON UNIVERSITY (US) | 1998-12-08 | — | — | US | disclosed |