Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.53 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28137212 | 0.85 | ALDH1A1 (0.63) | KDM4EGLARXFP1GAAAGTR1 | |
| SCHEMBL5392212 | 0.81 | KDM4E (0.58) | KDM4EGLASIRT2AGTR1MEN1 | |
| SCHEMBL6977216 | 0.80 | SIRT2 (0.53) | KDM4EGLASIRT2GAAAGTR1 | |
| SCHEMBL11159304 | 0.80 | KDM4E (0.62) | KDM4EGLAKMT2APTGER4ALDH1A1 | |
| SCHEMBL17315235 | 0.80 | AGTR1 (0.53) | KDM4EGLASIRT2AGTR1MEN1 | |
| SCHEMBL4866899 | 0.80 | KDM4E (0.65) | KDM4EGLASIRT2AGTR1MEN1 | |
| SCHEMBL16696103 | 0.79 | KDM4E (0.49) | KDM4EGLASIRT2GAAAGTR1 | |
| SCHEMBL12819603 | 0.79 | PTGER4 (0.47) | RXFP1PTGER4PKMALDH1A1RAB9A | |
| SCHEMBL8047226 | 0.79 | KMT2A (0.56) | KDM4EGLASIRT2GAAAGTR1 | |
| SCHEMBL14802012 | 0.79 | MAPK1 (0.63) | KDM4EGAAMEN1KMT2APKM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104822653-B | N-prop-2-ynylcarboxamide derivatives and their use as TRPA1 antagonists | 奥赖恩公司 | 2017-03-08 | — | — | CN | claimed |
| JP-4377942-B2 | — | — | 2009-12-02 | — | — | JP | claimed |
| JP-2008531599-A | — | — | 2008-08-14 | — | — | JP | claimed |
| EP-1856057-A1 | TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES | Serenex, Inc. (US) | 2007-11-21 | — | — | EP | claimed |
| WO-2006091963-A1 | TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES | SERENEX, INC. (US) | 2006-08-31 | — | — | WO | claimed |
| CN-104822653-B | N-prop-2-ynylcarboxamide derivatives and their use as TRPA1 antagonists | 奥赖恩公司 | 2017-03-08 | — | — | CN | disclosed |