Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | POLB | P06746 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4775001 | 0.89 | LMNA (0.43) | ALDH1A1POLBKDM4ECYP3A4CYP2C9 | |
| SCHEMBL4771477 | 0.80 | CYP2D6 (0.46) | ALDH1A1CYP3A4CYP2C9HSD17B10RAB9A | |
| SCHEMBL4773053 | 0.78 | MTOR (0.44) | ALDH1A1KDM4ECYP3A4CYP2C9RAB9A | |
| SCHEMBL2241354 | 0.76 | PIK3CA (0.51) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4771751 | 0.75 | CYP2D6 (0.45) | ALDH1A1CYP3A4CYP2C9HSD17B10RAB9A | |
| SCHEMBL2241722 | 0.74 | CYP2A6 (0.46) | ALDH1A1POLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2235864 | 0.74 | CYP2D6 (0.44) | ALDH1A1CYP3A4CYP2C9HSD17B10RAB9A | |
| SCHEMBL4769045 | 0.73 | HDAC1 (0.48) | KDM4ECYP3A4CYP2C9LMNA | |
| SCHEMBL4773025 | 0.73 | CYP2A6 (0.47) | KDM4ERAB9ASMN1; SMN2LMNATP53 | |
| SCHEMBL4771527 | 0.72 | CYP3A4 (0.55) | ALDH1A1KDM4ECYP3A4CYP2C9CYP2C19 |
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 |