Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16674125 | 0.83 | ESR1 (0.51) | SCN9AALDH1A1LMNAPDK2MAOA | |
| SCHEMBL14970785 | 0.78 | PDK2 (0.36) | LMNAPDK2KMT2AMEN1 | |
| SCHEMBL17456241 | 0.78 | PDK2 (0.52) | ALDH1A1LMNAPDK2GAARAB9A | |
| SCHEMBL7315127 | 0.77 | PDK2 (0.51) | SCN9APDK2CA1CA2CA7 | |
| SCHEMBL7316250 | 0.77 | KMT2A (0.56) | SCN9AALDH1A1PDK2CA1CA2 | |
| SCHEMBL21880258 | 0.77 | PDK2 (0.54) | PDK2KMT2A | |
| SCHEMBL7315657 | 0.77 | PDK2 (0.51) | SCN9AALDH1A1PDK2GAAKMT2A | |
| SCHEMBL15619163 | 0.76 | KMT2A (0.68) | SCN9ALMNANPSR1KMT2AMEN1 | |
| SCHEMBL19039047 | 0.75 | PDK2 (0.50) | ALDH1A1LMNAPDK2CA1CA2 | |
| SCHEMBL30281291 | 0.75 | PDK2 (0.50) | ALDH1A1LMNAPDK2CA1CA2 |
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-6162824-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | ALLELIX NEUROSCIENCE INC. | 2000-12-19 | — | — | US | disclosed |
| WO-1999041227-A1 | TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | ALLELIX NEUROSCIENCE, INC. (US) | 1999-08-19 | — | — | WO | disclosed |