Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 3/20 | 0.32 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.32 |
| ▸ | MYLK | Q15746 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | PRKCG | P05129 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PRKCA | P17252 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4962884 | 0.88 | PDK2 (0.39) | PDK2HTTNPSR1KDM4ENPC1 | |
| SCHEMBL49965 | 0.86 | CD274 (0.46) | PDK2KMT2APDCD1CD274 | |
| SCHEMBL1835122 | 0.78 | PRKCE (0.42) | PDK2HTTNPSR1KDM4ENPC1 | |
| SCHEMBL14954170 | 0.78 | ALDH1A1 (0.42) | PDK2HTTNPSR1KDM4ENPC1 | |
| SCHEMBL734879 | 0.78 | KCNN4 (0.46) | PDK2KCNN4HTTNPSR1KDM4E | |
| SCHEMBL16245089 | 0.77 | CD274 (0.44) | PDK2KCNN4PDCD1CD274 | |
| SCHEMBL3931388 | 0.77 | KDM4E (0.37) | PDK2KDM4EIDO1CD274 | |
| Fluoride SCHEMBL1335703 | 0.77 | PDK2 (0.33) | PDK2HTTNPSR1KDM4ENPC1 | |
| SCHEMBL914993 | 0.76 | PDK2 (0.38) | PDK2HTTNPSR1KDM4ENPC1 | |
| SCHEMBL1666891 | 0.76 | PDK2 (0.32) | PDK2 |
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-6080587-A | RATIONALLY DESIGNED LIBRARIES OF STRUCTURALLY-DIVERSE LOW MOLECULAR WEIGHT COMPOUNDS | ELI LILLY AND COMPANY (US) | 2000-06-27 | — | — | US | disclosed |
| EP-0712493-A4 | A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY | SPHINX PHARMA CORP (US) | 1997-01-15 | — | — | EP | disclosed |
| EP-0712493-A1 | A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY | SPHINX PHARMACEUTICALS CORPORATION (US) | 1996-05-22 | — | — | EP | disclosed |
| WO-1995004277-A1 | A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY | SPHINX PHARMACEUTICALS CORPORATION (US) | 1995-02-09 | — | — | WO | disclosed |