Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | F12 | P00748 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
| ▸ | F3 | P13726 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL36862 | 0.77 | ALDH1A1 (0.58) | ALDH1A1NPSR1HTR3EHTR3BHTR3A | |
| SCHEMBL1797820 | 0.77 | ALDH1A1 (0.58) | ALDH1A1NPSR1HTR3EHTR3BHTR3A | |
| Benzene SCHEMBL27899224 | 0.77 | ALDH1A1 (0.58) | ALDH1A1NPSR1HTR3EHTR3BHTR3A | |
| SCHEMBL7529429 | 0.77 | ALDH1A1 (0.58) | ALDH1A1NPSR1HTR3EHTR3BHTR3A | |
| SCHEMBL1869626 | 0.76 | NPSR1 (0.55) | ALDH1A1NPSR1SIGMAR1F2F10 | |
| Hydrogen Sulfide SCHEMBL3400123 | 0.74 | ALDH1A1 (0.56) | ALDH1A1NPSR1HTR3EHTR3BHTR3A | |
| Bromide SCHEMBL668726 | 0.74 | ALDH1A1 (0.56) | ALDH1A1NPSR1HTR3EHTR3BHTR3A | |
| Guanidine SCHEMBL8779271 | 0.74 | ALDH1A1 (0.56) | ALDH1A1NPSR1HTR3EHTR3BHTR3A | |
| Fluoride SCHEMBL28947959 | 0.74 | ALDH1A1 (0.56) | ALDH1A1NPSR1HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL5813799 | 0.74 | ALDH1A1 (0.56) | ALDH1A1NPSR1HTR3EHTR3BHTR3A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999002145-A1 | COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1999-01-21 | — | — | WO | disclosed |
| US-5614630-A | NEUROTRANSMITTER RELEASE MODULATOR | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1997-03-25 | — | — | US | disclosed |