Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | KDM1A | O60341 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25195403 | 0.88 | AKR1C3 (0.44) | DRD3DRD2KDM1AOPRM1OPRK1 | |
| SCHEMBL8080223 | 0.86 | NPC1 (0.46) | DRD3DRD2ACHEALDH1A1TAS1R3 | |
| SCHEMBL15235463 | 0.86 | ALDH1A1 (0.54) | DRD3KDM1AALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL12620676 | 0.86 | NPC1 (0.46) | DRD3DRD2ACHEALDH1A1TAS1R3 | |
| SCHEMBL10175554 | 0.85 | PARP10 (0.49) | ACHEALDH1A1PARP10 | |
| Cyclohexane SCHEMBL8959188 | 0.84 | NPC1 (0.45) | DRD3DRD2ACHEALDH1A1TAS1R3 | |
| SCHEMBL15235464 | 0.82 | KMT2A (0.45) | ALDH1A1 | |
| SCHEMBL802970 | 0.82 | ALDH1A1 (0.39) | ACHEALDH1A1TAS1R3TAS1R1 | |
| SCHEMBL2227028 | 0.81 | GNG2 (0.46) | ACHE | |
| SCHEMBL803415 | 0.78 | ALDH1A1 (0.38) | DRD3DRD2ALDH1A1 |
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-2009027601-A2 | PYRAZOLE 3,5 CARBOXYLATE DERIVATIVES PREPARATION AND THERAPEUTIC APPLICATION THEREOF | SANOFI-AVENTIS (FR) | 2009-03-05 | — | — | WO | disclosed |