Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ROS1 | P08922 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL4771477 | 0.79 | CYP2D6 (0.46) | RAB9ACYP3A4CYP2C9CYP2A6ALDH1A1 | |
| SCHEMBL2241722 | 0.79 | CYP2A6 (0.46) | RAB9APOLBCYP3A4CYP2C9CYP2A6 | |
| SCHEMBL4771751 | 0.79 | CYP2D6 (0.45) | RAB9ACYP3A4CYP2C9CYP2A6ALDH1A1 | |
| SCHEMBL2235864 | 0.77 | CYP2D6 (0.44) | RAB9ACYP3A4CYP2C9CYP2A6ALDH1A1 | |
| SCHEMBL2238846 | 0.76 | CYP3A4 (0.47) | RAB9ACYP3A4CYP2C9CYP2A6ALDH1A1 | |
| SCHEMBL2241801 | 0.74 | CLK4 (0.66) | CYP3A4CYP2C9ALDH1A1LMNAHTT | |
| SCHEMBL4775842 | 0.73 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2A6ALDH1A1LMNA | |
| SCHEMBL4771527 | 0.73 | CYP3A4 (0.55) | RAB9ACYP3A4CYP2C9CYP2A6ALDH1A1 | |
| SCHEMBL2239929 | 0.73 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2A6ALDH1A1LMNA | |
| SCHEMBL4771524 | 0.73 | NPC1 (0.47) | RAB9ACYP3A4CYP2C9MAPTALDH1A1 |
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-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |