Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2305185 | 0.82 | NPC1 (0.44) | MAPTKDM4EALDH1A1HPGDTNKS | |
| SCHEMBL14923155 | 0.82 | SLC9A1 (0.48) | SLC9A1TP53MAPTKDM4EALDH1A1 | |
| SCHEMBL347966 | 0.74 | MAOB (0.53) | MAOBMAOASLC9A1HTTDDAH1 | |
| SCHEMBL6212458 | 0.74 | DDAH1 (0.42) | MAOBDDAH1CYP3A4TP53MAPT | |
| SCHEMBL6212454 | 0.74 | MEN1 (0.38) | MAOBCYP3A4TP53MAPTKDM4E | |
| SCHEMBL595184 | 0.74 | ALDH1A1 (0.54) | HTTKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL13790811 | 0.74 | PTGER4 (0.43) | CYP3A4TP53KDM4EALDH1A1HPGD | |
| SCHEMBL10205941 | 0.72 | MAOB (0.52) | MAOBMAOASLC9A1HTTDDAH1 | |
| SCHEMBL3904940 | 0.72 | GAA (0.50) | TP53MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL14050010 | 0.71 | ALDH1A1 (0.51) | KDM4EALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2606727-A1 | Compounds with nematicidal activity | Bayer CropScience AG (DE) | 2013-06-26 | — | — | EP | disclosed |
| EP-2589294-A1 | Compounds with nematicidal activity | Bayer CropScience AG (DE) | 2013-05-08 | — | — | EP | disclosed |