Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 1/20 | 0.45 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.45 |
| ▸ | PSMB5 | P28074 | 4/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | PPARD | Q03181 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2316932 | 0.85 | LTB4R (0.47) | LTB4RLTB4R2PSMB5HTR2CPPARG | |
| SCHEMBL2316931 | 0.85 | LTB4R (0.47) | LTB4RLTB4R2PSMB5HTR2CPPARG | |
| SCHEMBL6099078 | 0.85 | LTB4R (0.47) | LTB4RLTB4R2PSMB5HTR2CPPARG | |
| SCHEMBL5174865 | 0.82 | KCNH2 (0.44) | LTB4RLTB4R2HTT | |
| SCHEMBL29960346 | 0.82 | KCNH2 (0.44) | LTB4RLTB4R2HTT | |
| SCHEMBL14124137 | 0.81 | LTB4R (0.41) | LTB4RLTB4R2PSMB5HTR1AHTR1D | |
| SCHEMBL6339887 | 0.81 | HTR1A (0.55) | LTB4RLTB4R2PSMB5HTR1AHTR1D | |
| SCHEMBL10282172 | 0.81 | HTR2B (0.43) | LTB4RLTB4R2PSMB5HTR1AHTR1D | |
| SCHEMBL8787797 | 0.81 | LMNA (0.43) | PSMB5HTR2CPPARGPPARDPOLB | |
| Hydrochloric Acid SCHEMBL29960409 | 0.80 | HTR2C (0.54) | LTB4RLTB4R2PSMB5HTR1AHTR1D |
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 |
|---|---|---|---|---|---|---|---|
| US-5763444-A | CENTRAL NERVOUS SYSTEM AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-06-09 | — | — | US | disclosed |
| EP-0761666-A2 | Antidepressant 1-arylalkyl-4-(alkoxypyridinyl)- or 4-(alkoxypyrimidinyl)piperazine derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-03-12 | — | — | EP | disclosed |