Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | FABP4 | P15090 | 1/20 | 0.32 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL7319520 | 0.87 | PDK2 (0.44) | PDK2PTGS2 | |
| SCHEMBL27619850 | 0.84 | PDK2 (0.47) | THRBTDP1PDK2HSD17B10 | |
| SCHEMBL7316444 | 0.84 | PDK2 (0.47) | PDK2PTGS2BACE1HDAC4HDAC2 | |
| SCHEMBL7316321 | 0.83 | THRB (0.39) | THRBTDP1BCAT2PDK2SLC6A2 | |
| SCHEMBL7316883 | 0.77 | OPRM1 (0.41) | THRBTDP1PDK2ALDH1A1HPGD | |
| SCHEMBL2454330 | 0.77 | THRB (0.56) | THRBTDP1BCAT2PDK2ALDH1A1 | |
| SCHEMBL4827196 | 0.74 | THRB (0.52) | THRBTDP1BCAT2PDK2ALDH1A1 | |
| SCHEMBL7316576 | 0.73 | CYP2D6 (0.41) | THRBTDP1PDK2ALDH1A1APEX1 | |
| SCHEMBL7316356 | 0.71 | PDK2 (0.40) | THRBTDP1PDK2ALDH1A1 | |
| SCHEMBL7314142 | 0.70 | PDK2 (0.40) | THRBTDP1PDK2ALDH1A1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1757645-A | Material contg. thiophene spirane structure, its synthesis and application | UNIV FUDAN (CN) | 2006-04-12 | — | — | CN | disclosed |
| US-6162824-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | ALLELIX NEUROSCIENCE INC. | 2000-12-19 | — | — | US | disclosed |