Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.40 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2123367 | 0.89 | EPHX2 (0.41) | EPHX2NPC1RAB9ASMN1; SMN2KDM4A | |
| SCHEMBL9849328 | 0.86 | NR1H4 (0.43) | EPHX2NPC1RAB9AKDM4ANR1H4 | |
| SCHEMBL8235172 | 0.83 | EPHX2 (0.49) | EPHX2NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL30914650 | 0.83 | KDM4A (0.42) | SMN1; SMN2KDM4ANR1H4L3MBTL1CYP1A2 | |
| SCHEMBL1810190 | 0.82 | NR1H4 (0.45) | NPC1RAB9ASMN1; SMN2KDM4ANR1H4 | |
| SCHEMBL3884335 | 0.81 | HTT (0.44) | KMT2ASMN1; SMN2MEN1TDP1HDAC1 | |
| SCHEMBL4010124 | 0.81 | NR1H4 (0.44) | NPC1RAB9ASMN1; SMN2KDM4ANR1H4 | |
| SCHEMBL27773505 | 0.81 | NR1H4 (0.47) | NPC1RAB9ASMN1; SMN2KDM4ANR1H4 | |
| SCHEMBL3856479 | 0.80 | GFER (0.40) | EPHX2RAB9ASMN1; SMN2KDM4ANR1H4 | |
| SCHEMBL1178054 | 0.80 | MAPT (0.43) | NPC1RAB9AKMT2ASMN1; SMN2KDM4A |
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-2044063-A1 | PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | Astra Zeneca AB (SE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008001070-A1 | PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2008-01-03 | — | — | WO | disclosed |