Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.38 |
| ▸ | NPY2R | P49146 | 1/20 | 0.38 |
| ▸ | NPY4R | P50391 | 1/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11243701 | 1.00 | TDP1 (0.42) | TDP1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL11243697 | 1.00 | TDP1 (0.42) | TDP1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| Oxalic Acid SCHEMBL10839568 | 0.92 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Oxalic Acid SCHEMBL10839573 | 0.92 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Oxalic Acid SCHEMBL10839550 | 0.92 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL11231006 | 0.85 | TDP1 (0.50) | TDP1NPY1RNPY2RNPY4RNPY5R | |
| SCHEMBL11230983 | 0.85 | TDP1 (0.50) | TDP1NPY1RNPY2RNPY4RNPY5R | |
| SCHEMBL11231029 | 0.85 | TDP1 (0.50) | TDP1NPY1RNPY2RNPY4RNPY5R | |
| SCHEMBL10839528 | 0.84 | MEN1 (0.37) | CHRNB2CHRNA4NPY1RNPY2RNPY4R | |
| SCHEMBL10839525 | 0.84 | MEN1 (0.37) | CHRNB2CHRNA4NPY1RNPY2RNPY4R |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4320137-A | Derivatives of perhydro-aza-heterocycles | CIBA-GEIGY CORPORATION (US) | 1982-03-16 | — | — | US | claimed |
| US-4320137-A | Derivatives of perhydro-aza-heterocycles | CIBA-GEIGY CORPORATION (US) | 1982-03-16 | — | — | US | disclosed |
| US-4246269-A | Antidepressant piperidinones | CIBA-GEIGY CORPORATION (US) | 1981-01-20 | — | — | US | disclosed |
| US-4160837-A | ANTIDEPRESSANTS | CIBA-GEIGY CORPORATION (US) | 1979-07-10 | — | — | US | disclosed |