Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8084833 | 0.91 | CA12 (0.43) | EPHX1RAB9ACYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL8099487 | 0.88 | CA12 (0.42) | EPHX1RAB9ACYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL8098812 | 0.88 | NPC1 (0.43) | EPHX1RAB9ASMN1; SMN2NPC1ALDH1A1 | |
| SCHEMBL8099405 | 0.87 | EPHX1 (0.42) | EPHX1RAB9AALDH1A1CA12CA1 | |
| SCHEMBL8093179 | 0.86 | RAB9A (0.42) | EPHX1RAB9ACYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL8090948 | 0.86 | CA12 (0.41) | EPHX1RAB9ASMN1; SMN2ALDH1A1CA12 | |
| SCHEMBL8084016 | 0.86 | CA12 (0.41) | EPHX1RAB9ASMN1; SMN2ALDH1A1CA12 | |
| SCHEMBL8099411 | 0.86 | CA12 (0.44) | EPHX1RAB9ACYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL8098775 | 0.83 | CA1 (0.43) | CA12CA1CA2CA9MAPT | |
| SCHEMBL8096200 | 0.83 | EPHX1 (0.47) | EPHX1RAB9ACYP2C9CYP2C19SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009007748-A2 | TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | disclosed |