Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 3/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 2/20 | 0.48 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | DRD3 | P35462 | 2/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 6/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.46 |
| ▸ | HTR3B | O95264 | 2/20 | 0.46 |
| ▸ | HTR3A | P46098 | 2/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | HTR7 | P34969 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27818370 | 0.88 | ADRB1 (0.51) | ADRB1HTR1AHTR2ADRD2DRD3 | |
| SCHEMBL11665416 | 0.85 | NPC1 (0.59) | TSHRHSD17B10LMNAALDH1A1HPGD | |
| SCHEMBL18889531 | 0.84 | HDAC3 (0.49) | HTR1AHTR2ADRD2DRD3DRD4 | |
| SCHEMBL30637700 | 0.82 | NPC1 (0.56) | CYP1A2HSD17B10LMNACYP2C19KDM4E | |
| SCHEMBL501351 | 0.82 | NPC1 (0.56) | CYP1A2HSD17B10LMNACYP2C19KDM4E | |
| SCHEMBL6490484 | 0.81 | ADRB1 (0.47) | ADRB1HTR1AHTR2ADRD2DRD3 | |
| SCHEMBL4313452 | 0.81 | HPGD (0.45) | HTR1ADRD2DRD4TSHRHSD17B10 | |
| SCHEMBL31349267 | 0.80 | ADRB1 (0.56) | ADRB1HTR1AHTR2ADRD2DRD3 | |
| SCHEMBL4458672 | 0.80 | ADRB1 (0.56) | ADRB1HTR1AHTR2ADRD2DRD3 | |
| SCHEMBL5707829 | 0.79 | ADRB1 (0.56) | ADRB1HTR1AHTR2ADRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4994460-A | Treatment or prevention of disorders resulting from central nervous system anoxia | BRISTOL-MYERS SQUIBB CO. (US) | 1991-02-19 | — | — | US | disclosed |
| EP-0400661-A1 | Agents for treatment of brain ischemia | Bristol-Myers Squibb Company (US) | 1990-12-05 | — | — | EP | disclosed |
| US-3933824-A | Piperazinobutyrophenone derivatives | SUMITOMO CHEMICAL COMPANY, LIMITED (JA) | 1976-01-20 | — | — | US | disclosed |