Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.39 |
| ▸ | HBB | P68871 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11635724 | 0.74 | HTR2A (0.49) | HTR2AHTR2BHTR2CLDHAALDH1A1 | |
| SCHEMBL11098842 | 0.72 | HTR2B (0.54) | HTR2AHTR2BHTR2CALDH1A1GAA | |
| SCHEMBL5381346 | 0.70 | HTR2C (0.36) | HTR2AHTR2BHTR2CGAAMEN1 | |
| SCHEMBL4607067 | 0.68 | HTR2C (0.53) | HTR2AHTR2BHTR2CALDH1A1GAA | |
| SCHEMBL11302784 | 0.67 | HTR2B (0.55) | HTR2AHTR2BHTR2CLDHAALDH1A1 | |
| 1,2-Diethoxybenzene SCHEMBL578986 | 0.65 | ALDH1A1 (0.68) | ALDH1A1GAAGLAKDM4EHPGD | |
| 1,2-Diethoxybenzene SCHEMBL29428929 | 0.65 | ALDH1A1 (0.68) | ALDH1A1GAAGLAKDM4EHPGD | |
| SCHEMBL10522131 | 0.65 | HTR2A (0.46) | HTR2AHTR2BHTR2CLDHAALDH1A1 | |
| 1-Hydroxy-2-Ethoxybenzene SCHEMBL28519 | 0.65 | GAA (0.64) | ALDH1A1GAAGLAMAPTLMNA | |
| 1-Hydroxy-2-Ethoxybenzene SCHEMBL28239475 | 0.65 | GAA (0.64) | ALDH1A1GAAGLAMAPTLMNA |
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-6225352-B1 | USEFUL AS AGENTS IN THE TREATMENT OF CANCER, ALZHEIMERS DISEASE, THROMBOSIS, INFLAMMATORY DISEASES, AND BACTERIAL RESISTANCE | WARNER-LAMBERT COMPANY | 2001-05-01 | — | — | US | disclosed |
| WO-1998006691-A2 | LOW MOLECULAR WEIGHT DENDRITIC COMPOUNDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1998-02-19 | — | — | WO | disclosed |