Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | YES1 | P07947 | 4/20 | 0.42 |
| ▸ | FGR | P09769 | 4/20 | 0.42 |
| ▸ | SRC | P12931 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 3/20 | 0.40 |
| ▸ | LYN | P07948 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| SCHEMBL7902941 | 0.80 | SRC (0.56) | YES1FGRSRCFYNLYN | |
| SCHEMBL7894824 | 0.68 | SRC (0.62) | SRCABL1RET | |
| SCHEMBL13828328 | 0.67 | PDE2A (0.44) | HSD17B10USP2ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL15613596 | 0.67 | SRC (0.65) | YES1FGRSRCCYP1A2CYP3A4 | |
| SCHEMBL16127376 | 0.67 | SRC (0.53) | YES1FGRSRCFYNLYN | |
| SCHEMBL7894961 | 0.66 | PIK3CG (0.48) | YES1FGRSRCABL1 | |
| SCHEMBL23252047 | 0.65 | MTOR (0.64) | ABL1 | |
| SCHEMBL8377054 | 0.64 | ALDH1A1 (0.40) | HSD17B10LMNAKDM4EALDH1A1TSHR | |
| SCHEMBL6953674 | 0.64 | HSP90AA1 (0.55) | CYP1A2CYP3A4CYP2D6CLK4HSD17B10 | |
| SCHEMBL3504880 | 0.64 | ALDH1A1 (0.56) | CYP1A2CYP3A4CYP2D6CLK4HSD17B10 |
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-2976086-B1 | COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE | MILLENNIUM PHARM INC (US) | 2020-10-14 | — | — | EP | disclosed |