Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.71 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14394546 | 0.88 | CHRM1 (0.75) | CHRM1ADRA1ACA7GSTO1TDP1 | |
| SCHEMBL20369197 | 0.83 | CHRM1 (0.50) | CHRM1ADRA1ACA7GSTO1TDP1 | |
| Methyclothiazide SCHEMBL27178 | 0.83 | CHRM1 (1.00) | CHRM1ADRA1ACA7TDP1LMNA | |
| Methyclothiazide SCHEMBL8065909 | 0.83 | CHRM1 (1.00) | CHRM1ADRA1ACA7TDP1LMNA | |
| Methyclothiazide SCHEMBL8051136 | 0.83 | CHRM1 (1.00) | CHRM1ADRA1ACA7TDP1LMNA | |
| Methyclothiazide SCHEMBL1819665 | 0.83 | CHRM1 (1.00) | CHRM1ADRA1ACA7TDP1LMNA | |
| Methyclothiazide SCHEMBL49396 | 0.83 | CHRM1 (1.00) | CHRM1ADRA1ACA7TDP1LMNA | |
| Methyclothiazide SCHEMBL29363642 | 0.83 | CHRM1 (1.00) | CHRM1ADRA1ACA7TDP1LMNA | |
| SCHEMBL19165749 | 0.75 | CHRM1 (0.70) | CHRM1ADRA1ACA7TDP1 | |
| Methyclothiazide SCHEMBL10380303 | 0.75 | CHRM1 (0.77) | CHRM1ADRA1ACA7TDP1LMNA |
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-7544711-B2 | Use of nitroderivatives in urinary incontinence | NICOX S.A. (FR) | 2009-06-09 | — | — | US | disclosed |
| US-7544711-B2 | Use of nitroderivatives in urinary incontinence | NICOX S.A. (FR) | 2009-06-09 | — | — | US | disclosed |
| US-7282519-B2 | Nitrosated and nitrosylated diuretic compounds, compositions and methods of use | NITROMED, INC. (US) | 2007-10-16 | — | — | US | disclosed |