Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.34 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2349873 | 0.79 | TRPV4 (0.38) | TRPV4ERN1CXCL12ACHEKDM4E | |
| SCHEMBL1491051 | 0.79 | ACHE (0.46) | ERN1ACHEMAPTMAPK1NPSR1 | |
| SCHEMBL1810937 | 0.77 | CA12 (0.43) | ACHEKDM4EMAPTMAPK1GAA | |
| SCHEMBL28805089 | 0.76 | POLB (0.39) | ERN1ACHEKDM4EMAPTNPSR1 | |
| SCHEMBL1639475 | 0.76 | ERN1 (0.43) | TRPV4ERN1CXCL12KDM4EMAPT | |
| SCHEMBL27695180 | 0.76 | TRPV4 (0.36) | TRPV4ERN1KDM4EMAPTHSP90AA1 | |
| SCHEMBL2344974 | 0.76 | TRPV4 (0.36) | TRPV4ERN1KDM4EMAPTHSP90AA1 | |
| SCHEMBL27743323 | 0.71 | TAAR1 (0.37) | TRPV4ERN1KDM4EMAPTHSP90AA1 | |
| SCHEMBL3702697 | 0.70 | — | — | |
| SCHEMBL13256218 | 0.70 | ERN1 (0.45) | TRPV4ERN1CXCL12ACHEKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0980867-B1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES (JP) | 2007-08-08 | — | — | EP | disclosed |
| US-6184245-B1 | Cyclic ketone derivatives and their medical applications | TORAY INDUSTRIES INC. (JP) | 2001-02-06 | — | — | US | disclosed |
| US-6100292-A | Ketone derivatives and their medical applications | TORAY INDUSTRIES, INC. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0980867-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-02-23 | — | — | EP | disclosed |
| EP-0962456-A1 | CYCLIC KETONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 1999-12-08 | — | — | EP | disclosed |