Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | LIPE | Q05469 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 4/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL34638 | 1.00 | HTT (0.52) | HTTALDH1A1KDM4ETP53GLA | |
| Hydrochloric Acid SCHEMBL8939931 | 0.97 | HTT (0.50) | HTTALDH1A1KDM4ETP53GLA | |
| SCHEMBL477228 | 0.97 | — | — | |
| Benzene SCHEMBL8030551 | 0.95 | HTT (0.59) | HTTALDH1A1KDM4ETP53GLA | |
| Hydrochloric Acid SCHEMBL11600093 | 0.94 | HTT (0.47) | HTTALDH1A1KDM4ETP53GLA | |
| Benzene SCHEMBL3841909 | 0.92 | HTT (0.55) | HTTALDH1A1KDM4ETP53GLA | |
| SCHEMBL1801925 | 0.92 | — | — | |
| SCHEMBL10879021 | 0.89 | HTT (0.44) | HTTALDH1A1KDM4ETP53GLA | |
| SCHEMBL18124344 | 0.89 | HTT (0.44) | HTTALDH1A1KDM4ETP53GLA | |
| Piperidine SCHEMBL25200840 | 0.87 | HTT (0.43) | HTTALDH1A1KDM4ETP53GLA |
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-101817815-A | Compounds with antibacterial activity | MORPHOCHEM AG KOMB CHEMIE | 2010-09-01 | — | — | CN | disclosed |
| CN-100569769-C | Compounds with fungicidal activity | MORPHOCHEM AG KOMB CHEMIE (DE) | 2009-12-16 | — | — | CN | disclosed |
| CN-1703412-A | Novel compounds with fungicidal activity | MORPHOCHEM AG KOMB CHEMIE (DE) | 2005-11-30 | — | — | CN | disclosed |
| US-5162528-A | Pre- and post-emergence; phytaphthora in tomato plants; rice and wheat | BAYER AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |
| US-5028717-A | Herbicidal and fungicidal agents based on substituted pyrazolin-5-one derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1991-07-02 | — | — | US | disclosed |
| US-4909827-A | Containing a C6-10 aryl group substituted in position 1 | BAYER AKTIENGESELLSCHAFT (DE) | 1990-03-20 | — | — | US | disclosed |