Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HNF4A | P41235 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3673661 | 0.85 | BCAT2 (0.49) | KDM4EALDH1A1USP2TSHRPOLB | |
| SCHEMBL4551736 | 0.79 | ALDH1A1 (0.37) | KDM4EALDH1A1USP2TSHRRAB9A | |
| SCHEMBL3674767 | 0.76 | MAPK1 (0.48) | ALDH1A1TSHRPOLBLMNARAB9A | |
| SCHEMBL2883986 | 0.76 | SMN1; SMN2 (0.47) | ALDH1A1TSHRLMNARAB9ANPC1 | |
| SCHEMBL797912 | 0.76 | KDM4E (0.46) | KDM4EALDH1A1TSHRLMNANPC1 | |
| SCHEMBL11102271 | 0.74 | KDM4E (0.55) | KDM4EALDH1A1USP2TSHRPOLB | |
| SCHEMBL30005971 | 0.72 | KDM4E (0.50) | KDM4EALDH1A1USP2TSHRPOLB | |
| SCHEMBL3716310 | 0.72 | KDM4E (0.50) | KDM4EALDH1A1USP2TSHRPOLB | |
| SCHEMBL36145 | 0.72 | ALDH1A1 (0.72) | KDM4EALDH1A1POLBLMNAKMT2A | |
| SCHEMBL30028907 | 0.72 | ALDH1A1 (0.72) | KDM4EALDH1A1POLBLMNAKMT2A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019243971-A1 | NOVEL COMPOUNDS AND THEIR METHODS OF USE THEREOF | FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) | 2019-12-26 | — | — | WO | claimed |
| EP-2970313-A1 | SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS | Janssen Pharmaceutica N.V. (BE) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014159591-A1 | SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2014-10-02 | — | — | WO | disclosed |
| EP-2079466-A2 | SUBSTITUTED INDOLE COMPOUNDS | SmithKline Beecham Corporation (US) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008042571-A2 | SUBSTITUTED INDOLE COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-04-10 | — | — | WO | disclosed |
| US-4166732-A | Oxadiazol-5-yl-benzoates | MONSANTO COMPANY (US) | 1979-09-04 | — | — | US | disclosed |
| US-4166732-A | Oxadiazol-5-yl-benzoates | MONSANTO COMPANY (US) | 1979-09-04 | — | — | US | disclosed |
| US-4166732-A | Oxadiazol-5-yl-benzoates | MONSANTO COMPANY (US) | 1979-09-04 | — | — | US | disclosed |