Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 11/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 2/20 | 0.37 |
| ▸ | CHRNG | P07510 | 2/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | CHRND | Q07001 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23996970 | 0.86 | PDK2 (0.45) | PDK2THRBTDP1P2RX1P2RX3 | |
| SCHEMBL3957889 | 0.81 | ESR1 (0.47) | PDK2PGRTSHRSLC6A3SLC6A2 | |
| SCHEMBL24155401 | 0.79 | PGR (0.45) | PDK2PGRSLC6A3CHRNA1CHRNG | |
| SCHEMBL19168759 | 0.79 | PDK2 (0.56) | PDK2TSHRTHRBTDP1 | |
| SCHEMBL7319903 | 0.79 | PDK2 (0.47) | PDK2SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL12700889 | 0.78 | PDK2 (0.39) | PDK2SLC6A3CHRNA1CHRNGCHRNB1 | |
| SCHEMBL24156030 | 0.78 | MEN1 (0.48) | PDK2PGRTSHRSLC6A3SLC6A4 | |
| SCHEMBL3923017 | 0.78 | PDK2 (0.47) | PDK2THRBTDP1SLC6A3CHRNA1 | |
| SCHEMBL7322862 | 0.78 | PDK2 (0.50) | PDK2THRBTDP1SLC6A3SLC6A2 | |
| SCHEMBL7312094 | 0.78 | LMNA (0.53) | PDK2THRBTDP1SLC6A3CHRNA1 |
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 |