Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10805702 | 1.00 | LOXL2 (0.46) | LOXL2CYP3A4ALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL4379548 | 0.77 | ALDH1A1 (0.46) | LOXL2CYP3A4ALDH1A1CYP2D6CYP1A2 | |
| Beta-Phenylethylidene Hydrazine SCHEMBL1051740 | 0.76 | MAOB (0.52) | LOXL2ALDH1A1TSHRSMN1; SMN2CA1 | |
| Beta-Phenylethylidene Hydrazine SCHEMBL1005101 | 0.76 | MAOB (0.52) | LOXL2ALDH1A1TSHRSMN1; SMN2CA1 | |
| SCHEMBL6609419 | 0.75 | — | — | |
| SCHEMBL15117847 | 0.73 | LOXL2 (0.46) | LOXL2ALDH1A1 | |
| SCHEMBL28324399 | 0.72 | CYP3A4 (0.40) | LOXL2CYP3A4ALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL5495225 | 0.72 | CYP3A4 (0.55) | LOXL2CYP3A4ALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL3408218 | 0.71 | LOXL2 (0.50) | LOXL2CYP3A4ALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL272745 | 0.70 | — | — |
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-2007008942-A2 | PHENYLAMINO-ACETIC ACID [1-(PYRIDIN-4-YL)-METHYLIDENE]-HYDRAZIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF G PROTEIN-COUPLED RECEPTOR KINASES FOR THE TREATMENT OF EYE DISEASES | AERIE PHARMACEUTICALS, INC. (US) | 2007-01-18 | — | — | WO | disclosed |