Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | DHODH | Q02127 | 11/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4A | O75164 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.41 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL505457 | 0.84 | DHODH (0.68) | KDM4ERAB9ADHODHKDM4AKDM5A | |
| SCHEMBL696548 | 0.83 | DHODH (0.56) | KDM4ERAB9ADHODHPOLBCYP1A2 | |
| SCHEMBL536118 | 0.83 | DHODH (0.52) | DHODHCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6840296 | 0.83 | RAB9A (0.56) | KDM4ERAB9ADHODHPOLBALDH1A1 | |
| SCHEMBL536113 | 0.82 | DHODH (0.58) | KDM4ERAB9ADHODHALDH1A1HPGD | |
| SCHEMBL506154 | 0.81 | DHODH (0.67) | KDM4ERAB9ADHODH | |
| SCHEMBL505378 | 0.80 | DHODH (0.69) | KDM4ERAB9ADHODHALDH1A1NPC1 | |
| SCHEMBL536111 | 0.79 | DHODH (0.59) | KDM4ERAB9ADHODHALDH1A1NPC1 | |
| SCHEMBL6840189 | 0.79 | PIN1 (0.58) | KDM4ERAB9ADHODHALDH1A1KDM4A | |
| SCHEMBL6840235 | 0.79 | TNKS (0.54) | KDM4ERAB9ADHODHALDH1A1NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2414328-A2 | DIHYDROOROTATE DEHYDROGENASE INHIBITORS | Merck Serono S.A. (CH) | 2012-02-08 | — | — | EP | disclosed |