Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | CPB1 | P15086 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 3/20 | 0.30 |
| ▸ | CA2 | P00918 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8926330 | 0.83 | CYP1A2 (0.36) | MAPTCYP2C19ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL14651067 | 0.81 | CPB1 (0.60) | CPB1CYP2C19ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9325381 | 0.78 | NFKB1 (0.39) | NFKB1NFKB2RELACYP2C19ALDH1A1 | |
| SCHEMBL8924066 | 0.77 | MAPT (0.58) | NFKB1NFKB2RELACPB1MAPT | |
| SCHEMBL8926505 | 0.71 | NFKB1 (0.40) | NFKB1NFKB2RELAMAPTCYP2C19 | |
| SCHEMBL11158247 | 0.70 | ALDH1A1 (0.43) | NFKB1NFKB2RELACPB1CYP2C19 | |
| SCHEMBL8461792 | 0.69 | CA1 (0.37) | MAPTALDH1A1GAAKDM4ECA1 | |
| SCHEMBL4354339 | 0.69 | CPB1 (0.40) | NFKB1NFKB2RELACPB1TRPM8 | |
| SCHEMBL4354337 | 0.69 | CPB1 (0.40) | NFKB1NFKB2RELACPB1TRPM8 | |
| SCHEMBL24318092 | 0.69 | CA1 (0.44) | GAACA1CA2CA12CA9 |
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-0376072-B1 | Fungicidal and herbicidal agents and substituted 2-cyclohexen-1-yl amine derivatives, and their preparation | BAYER AG (DE) | 1994-02-16 | — | — | EP | claimed |
| US-5622916-A | PESTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |
| US-5296503-A | Administering orally | BAYER AKTIENGESELLSCHAFT (DE) | 1994-03-22 | — | — | US | disclosed |
| US-5270340-A | Substituted 2-cyclohexen-1-yl-amine fungicidal and herbicidal agents | BAYER AKTIENGESELLSCHAFT (DE) | 1993-12-14 | — | — | US | disclosed |