Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CFD | P00746 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 3/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8781041 | 0.76 | ACHE (0.43) | HTR1ADRD2HTR2AKCNH2ESR1 | |
| SCHEMBL20332656 | 0.76 | ALDH1A1 (0.44) | MAOAMAOBCA12CA1CA2 | |
| SCHEMBL7865743 | 0.71 | ACHE (0.43) | HTR1ADRD2HTR2AKCNH2ESR1 | |
| SCHEMBL27043058 | 0.70 | CA12 (0.47) | CFDCA12CA1CA2CA7 | |
| SCHEMBL7865753 | 0.69 | ACHE (0.46) | HTR1ADRD2HTR2AKCNH2ESR1 | |
| Hydrochloric Acid SCHEMBL7875148 | 0.69 | ACHE (0.45) | HTR1ADRD2HTR2AKCNH2ESR1 | |
| SCHEMBL30722889 | 0.67 | CA12 (0.44) | CFDCA12CA1CA2CA7 | |
| SCHEMBL5969864 | 0.67 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL7929443 | 0.66 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13131622 | 0.65 | CTSD (0.39) | DRD2ACHEBACE1HCRTR1HCRTR2 |
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-RE37438-E1 | Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase | GLAXO WELLCOME INC. | 2001-11-06 | — | — | US | disclosed |
| US-5866612-A | Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase | GLAXO WELLCOME INC. (US) | 1999-02-02 | — | — | US | disclosed |