Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 8/20 | 0.57 |
| ▸ | DRD3 | P35462 | 7/20 | 0.57 |
| ▸ | DRD4 | P21917 | 3/20 | 0.57 |
| ▸ | GAA | P10253 | 3/20 | 0.57 |
| ▸ | HTR1A | P08908 | 5/20 | 0.54 |
| ▸ | HTR2A | P28223 | 5/20 | 0.54 |
| ▸ | DRD1 | P21728 | 3/20 | 0.54 |
| ▸ | DRD5 | P21918 | 3/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.51 |
| ▸ | HTR7 | P34969 | 2/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.51 |
| ▸ | HRH1 | P35367 | 2/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL791195 | 0.81 | DRD2 (0.61) | DRD2DRD3DRD4GAAHTR1A | |
| Hydrochloric Acid SCHEMBL6706136 | 0.81 | DRD2 (0.53) | DRD2DRD3DRD4GAAHTR1A | |
| SCHEMBL7136001 | 0.81 | ALDH1A1 (0.61) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL7538517 | 0.80 | DRD2 (0.50) | DRD2HTR1AHTR7ADRA1A | |
| SCHEMBL27570335 | 0.80 | HTR1A (0.48) | DRD2DRD3DRD4GAAHTR1A | |
| Hydrochloric Acid SCHEMBL6706211 | 0.80 | ALDH1A1 (0.60) | DRD2DRD3DRD4HTR1AHTR2A | |
| SCHEMBL17817484 | 0.80 | DRD2 (0.60) | DRD2DRD3DRD4GAAHTR1A | |
| SCHEMBL7094842 | 0.80 | DRD2 (0.54) | DRD2DRD3DRD4GAAHTR1A | |
| SCHEMBL7538925 | 0.80 | DRD2 (0.68) | DRD2HTR1A | |
| SCHEMBL792919 | 0.79 | HTR1A (0.67) | DRD2DRD3DRD4HTR1AHTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | claimed |
| WO-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |
| WO-2002030422-A1 | USE OF DEFINED SUBSTANCES THAT BIND TO THE SIGMA RECEPTOR FOR COMBATING SARCOMA AND CARCINOMA | MERCK PATENT GMBH (DE) | 2002-04-18 | — | — | WO | disclosed |