Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 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 | |
|---|---|---|---|---|
| SCHEMBL29224069 | 0.78 | ELANE (0.50) | ELANEHSP90AA1HSP90AB1IDO1PSMB5 | |
| SCHEMBL1747623 | 0.78 | GSK3B (0.54) | ELANEHSP90AA1HSP90AB1IDO1PSMB5 | |
| SCHEMBL7890459 | 0.77 | ELANE (0.49) | ELANEHSP90AA1HSP90AB1IDO1PSMB5 | |
| SCHEMBL26597006 | 0.73 | RET (0.46) | ELANEALDH1A1HPGDLIMK1LMNA | |
| SCHEMBL1747314 | 0.73 | KDM4E (0.47) | ELANEALDH1A1HSD17B10MAPTMEN1 | |
| SCHEMBL30675625 | 0.72 | ELANE (0.55) | ELANELIMK1CDC7RETKDR | |
| SCHEMBL26675399 | 0.72 | ELANE (0.55) | ELANELIMK1CDC7RETKDR | |
| SCHEMBL27636552 | 0.69 | KDM4E (0.41) | ALDH1A1HPGDHSD17B10MAPTMEN1 | |
| SCHEMBL16703447 | 0.68 | CNR1 (0.47) | ELANEMAPTMEN1KMT2AHTT | |
| SCHEMBL15221646 | 0.68 | ELANE (0.48) | ELANEHSP90AA1HSP90AB1IDO1PSMB5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2485731-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011044157-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | BIOGEN IDEC MA INC. (US) | 2011-04-14 | — | — | WO | disclosed |