Known targets — ChEMBL curated mechanism
FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB known ✓ | P09619 | 8/20 | 0.46 |
| ▸ | FGFR1 known ✓ | P11362 | 8/20 | 0.46 |
| ▸ | KDR known ✓ | P35968 | 8/20 | 0.46 |
| ▸ | PDGFRA known ✓ | P16234 | 2/20 | 0.46 |
| ▸ | FLT1 known ✓ | P17948 | 2/20 | 0.46 |
| ▸ | FGFR2 known ✓ | P21802 | 2/20 | 0.46 |
| ▸ | FGFR4 known ✓ | P22455 | 2/20 | 0.46 |
| ▸ | FGFR3 known ✓ | P22607 | 2/20 | 0.46 |
| ▸ | FLT4 known ✓ | P35916 | 2/20 | 0.46 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.47 |
| ▸ | MELK | Q14680 | 9/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.44 |
| ▸ | PRKAB2 | O43741 | 3/20 | 0.44 |
| ▸ | NUAK1 | O60285 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.44 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.44 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.44 |
| ▸ | CAMKK2 | Q96RR4 | 3/20 | 0.44 |
| ▸ | PRKAG3 | Q9UGI9 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19283636 | 1.00 | AAK1 (0.47) | AAK1PDGFRBFGFR1KDRPDGFRA | |
| Water SCHEMBL28936061 | 0.99 | AAK1 (0.46) | AAK1PDGFRBFGFR1KDRPDGFRA | |
| Water SCHEMBL30195876 | 0.99 | AAK1 (0.46) | AAK1PDGFRBFGFR1KDRPDGFRA | |
| SCHEMBL19283556 | 0.97 | AAK1 (0.48) | AAK1PDGFRBFGFR1KDRPDGFRA | |
| SCHEMBL30577753 | 0.95 | AAK1 (0.50) | AAK1PDGFRBFGFR1KDRPDGFRA | |
| SCHEMBL30577752 | 0.95 | AAK1 (0.50) | AAK1PDGFRBFGFR1KDRPDGFRA | |
| SCHEMBL851519 | 0.95 | AAK1 (0.50) | AAK1PDGFRBFGFR1KDRPDGFRA | |
| SCHEMBL851520 | 0.95 | AAK1 (0.50) | AAK1PDGFRBFGFR1KDRPDGFRA | |
| Phenylmethanesulfonic Acid SCHEMBL19283590 | 0.95 | AAK1 (0.47) | AAK1PDGFRBFGFR1KDRPDGFRA | |
| Acetic Acid SCHEMBL19283596 | 0.94 | AAK1 (0.49) | AAK1PDGFRBFGFR1KDRPDGFRA |
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-2017077551-A2 | AN AMORPHOUS NINTEDANIB ESYLATE AND SOLID DISPERSION THEREOF | MYLAN LABORATORIES LIMITED (IN) | 2017-05-11 | — | — | WO | disclosed |