Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 10/20 | 0.39 |
| ▸ | CA1 | P00915 | 9/20 | 0.39 |
| ▸ | CA7 | P43166 | 7/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 9/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2405712 | 1.00 | HTR7 (0.40) | HTR7CA2CA1CA7CA14 | |
| Hydrochloric Acid SCHEMBL14686044 | 0.99 | HTR7 (0.39) | HTR7CA2CA1CA7CA14 | |
| SCHEMBL28077287 | 0.81 | CHRM3 (0.36) | HTR7 | |
| SCHEMBL2493535 | 0.77 | PDE5A (0.38) | HTR7TSHRALDH1A1 | |
| SCHEMBL2402648 | 0.76 | CA2 (0.36) | CA2CA1CA7CA14CA12 | |
| SCHEMBL2406236 | 0.74 | CA2 (0.44) | CA2CA1CA7CA14CA12 | |
| Fumaric Acid SCHEMBL27884093 | 0.72 | TSHR (0.37) | BLMLMNATSHRALDH1A1 | |
| Fumaric Acid SCHEMBL27987491 | 0.71 | TSHR (0.36) | BLMLMNATSHRALDH1A1 | |
| Fumaric Acid SCHEMBL27884094 | 0.71 | TSHR (0.36) | BLMLMNATSHRALDH1A1 | |
| Fumaric Acid SCHEMBL2404085 | 0.70 | LMNA (0.36) | CA2CA1CA7CA14CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2556064-A2 | PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | SANOFI (FR) | 2013-02-13 | — | — | EP | claimed |
| WO-2011109680-A2 | PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | SANOFI (FR) | 2011-09-09 | — | — | WO | claimed |
| EP-2556064-A2 | PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | SANOFI (FR) | 2013-02-13 | — | — | EP | disclosed |
| WO-2011109680-A2 | PROCESS FOR THE PREPARATION OF 2-(CYCLOHEXYLMETHYL)-N-{2- [(2S)-1-METHYLPYRROLIDIN-2-YL]ETHYL}-1, 2, 3, 4- TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | SANOFI (FR) | 2011-09-09 | — | — | WO | disclosed |