Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKE | Q14164 | 2/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | MTOR | P42345 | 2/20 | 0.32 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.31 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 1/20 | 0.31 |
| ▸ | WNT1 | P04628 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.31 |
| ▸ | LATS1 | O95835 | 1/20 | 0.31 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11903654 | 1.00 | IKBKE (0.38) | IKBKETBK1IDO1AXLNUDT1 | |
| SCHEMBL3233764 | 0.96 | IKBKE (0.38) | IKBKETBK1IDO1AXLNUDT1 | |
| Pyridine SCHEMBL15269051 | 0.94 | IKBKE (0.35) | IKBKETBK1IDO1PIK3CAMTOR | |
| SCHEMBL7678 | 0.83 | — | — | |
| SCHEMBL492397 | 0.83 | — | — | |
| SCHEMBL28675683 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL3810977 | 0.81 | PIM1 (0.36) | RPS6KA5KDM4C | |
| SCHEMBL23159914 | 0.81 | KDM4E (0.39) | IKBKETBK1AXLNUDT1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL16296099 | 0.81 | KDM4E (0.39) | IKBKETBK1AXLNUDT1ALDH1A1 | |
| SCHEMBL1581621 | 0.72 | QPCT (0.34) | KDM4C |
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 |
|---|---|---|---|---|---|---|---|
| EP-2877458-A1 | CYSTATHIONINE-Y-GAMMA-LYASE (CSE) INHIBITORS | Sova Pharmaceuticals, Inc. (US) | 2015-06-03 | — | — | EP | disclosed |
| WO-2014018569-A1 | CYSTATHIONINE-Y-GAMMA-LYASE (CSE) INHIBITORS | SOVA PHARMACEUTICALS, INC. (US) | 2014-01-30 | — | — | WO | disclosed |
| EP-1973910-A1 | PYRROLO Ý3,2-C¨PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS | Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007085188-A1 | PYRROLO [3,2-C] PYRIDINE-4-ONE 2-INDOLINONE PROTEIN KINASE INHIBITORS | SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) | 2007-08-02 | — | — | WO | disclosed |