Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | NAMPT | P43490 | 6/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.40 |
| ▸ | MTOR | P42345 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | KIT | P10721 | 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 | |
|---|---|---|---|---|
| SCHEMBL8098812 | 0.90 | NPC1 (0.43) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL8084016 | 0.88 | CA12 (0.41) | EPHX1NAMPTPIK3CAMTORCA12 | |
| SCHEMBL8090948 | 0.88 | CA12 (0.41) | EPHX1NAMPTPIK3CAMTORCA12 | |
| SCHEMBL8084833 | 0.88 | CA12 (0.43) | EPHX1NAMPTCA12CA1CA2 | |
| SCHEMBL8099749 | 0.88 | MTOR (0.40) | NAMPTPIK3CAMTORKMT2A | |
| SCHEMBL8098814 | 0.87 | EPHX1 (0.47) | EPHX1CA12CA1CA2CA9 | |
| SCHEMBL8093179 | 0.87 | RAB9A (0.42) | EPHX1PIK3CAMTORCA12CA1 | |
| SCHEMBL8090868 | 0.87 | MTOR (0.38) | NAMPTPIK3CAMTORKDM4EMEN1 | |
| SCHEMBL8091191 | 0.86 | PIK3CA (0.40) | PIK3CAMTORCA12CA1CA2 | |
| SCHEMBL8092850 | 0.85 | CA12 (0.42) | NAMPTPIK3CAMTORCA12CA1 |
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 |