Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | HPGD | P15428 | 2/20 | 0.65 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.65 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.65 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | IDO1 | P14902 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA2 | P00918 | 2/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4049273 | 0.87 | HTT (0.63) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL27362411 | 0.83 | HPGD (0.59) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL8504670 | 0.79 | HTT (1.00) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL5733855 | 0.79 | HTT (0.61) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL87450 | 0.78 | CA1 (0.83) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL5800533 | 0.77 | HTT (0.71) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL21440358 | 0.76 | CA1 (0.79) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL30271267 | 0.76 | CA1 (0.79) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL7746905 | 0.76 | CA1 (0.79) | HTTALDH1A1HPGDHSP90AA1CACNA1B | |
| SCHEMBL29504635 | 0.76 | CA1 (0.79) | HTTALDH1A1HPGDHSP90AA1CACNA1B |
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 |
|---|---|---|---|---|---|---|---|
| US-5783114-A | PYRIMIDINE OR PYRIDAZINES MIXED WITH OTHER LIQUID CRYSTALLINE MATERIALS | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1998-07-21 | — | — | US | disclosed |
| US-5254679-A | Containing a quaternized nitrogen | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-19 | — | — | US | disclosed |
| EP-0164944-B1 | CEPHALOSPORIN DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-07-11 | — | — | EP | disclosed |
| EP-0164944-A1 | Cephalosporin derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-12-18 | — | — | EP | disclosed |