Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 2/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.47 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.42 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL21350638 | 0.88 | CYP4F2 (0.54) | CYP4F2CYP4A11DGAT2CYP1A2CYP3A4 | |
| SCHEMBL21350537 | 0.86 | CYP4F2 (0.52) | CYP4F2CYP4A11DGAT2CYP1A2CYP3A4 | |
| SCHEMBL21331886 | 0.85 | CCNC (0.42) | CTSBCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL21350909 | 0.84 | CYP4F2 (0.50) | CYP4F2CYP4A11DGAT2CYP1A2CYP3A4 | |
| SCHEMBL21350312 | 0.84 | CYP4F2 (0.50) | CYP4F2CYP4A11DGAT2CYP1A2CYP3A4 | |
| SCHEMBL21350519 | 0.84 | CYP4F2 (0.50) | CYP4F2CYP4A11DGAT2CYP1A2CYP3A4 | |
| SCHEMBL21350910 | 0.83 | CYP4F2 (0.49) | CYP4F2CYP4A11DGAT2CYP1A2CYP3A4 | |
| SCHEMBL21350753 | 0.82 | CYP4F2 (0.48) | CYP4F2CYP4A11DGAT2CYP1A2CYP3A4 | |
| SCHEMBL21350641 | 0.82 | CYP4F2 (0.47) | CYP4F2CYP4A11DGAT2CYP1A2CYP3A4 | |
| SCHEMBL21350635 | 0.82 | SLC22A12 (0.54) | CYP4F2CYP4A11DGAT2CYP1A2CYP3A4 |
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-2019169890-A1 | 3-(NAPHTHALENE-1-METHYL SUBSTITUTED)PYRIDINE DERIVATIVE, SYNTHETIC METHOD THEREFOR AND USE THEREOF | 南方医科大学 | 2019-09-12 | — | — | WO | disclosed |