Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 11/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL21880270 | 0.81 | PDK2 (0.41) | PDK2TDP1THRBALDH1A1RECQL | |
| SCHEMBL18563485 | 0.81 | ESR1 (0.40) | PDK2TDP1THRBALDH1A1RECQL | |
| SCHEMBL7310523 | 0.78 | PDK2 (0.38) | PDK2TDP1THRBALDH1A1HCAR3 | |
| SCHEMBL12355554 | 0.71 | PDK2 (0.45) | PDK2TDP1THRBALDH1A1RECQL | |
| SCHEMBL7313945 | 0.70 | PDK2 (0.46) | PDK2TDP1THRBALDH1A1RECQL | |
| SCHEMBL7316770 | 0.69 | PDK2 (0.43) | PDK2TDP1THRBALDH1A1KMT2A | |
| SCHEMBL7312374 | 0.68 | SIGMAR1 (0.46) | NPSR1KMT2A | |
| SCHEMBL7320511 | 0.67 | PDK2 (0.47) | PDK2TDP1THRBALDH1A1NPSR1 | |
| SCHEMBL17797101 | 0.67 | LMNA (0.38) | PDK2TDP1THRBALDH1A1NPSR1 | |
| SCHEMBL19039047 | 0.66 | PDK2 (0.50) | PDK2TDP1THRBALDH1A1RECQL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001009117-A1 | TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | ALLELLIX NEUROSCIENCE INC. (US) | 2001-02-08 | — | — | WO | disclosed |
| 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 |