Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.51 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.50 |
| ▸ | AOC1 | P19801 | 1/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | METAP2 | P50579 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.46 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12531359 | 0.84 | KDM1A (0.50) | CYP3A4CYP2D6CYP2C9GRIN2BCRHR1 | |
| SCHEMBL13493771 | 0.84 | CYP3A4 (0.49) | GBA1CYP3A4CYP2D6CYP2C9GRIN2B | |
| SCHEMBL4037864 | 0.84 | KCNH3 (0.56) | CYP3A4CYP2D6CYP2C9GRIN2BCRHR1 | |
| SCHEMBL27586873 | 0.82 | ROCK2 (0.50) | CYP3A4CYP2D6CYP2C9GRIN2B | |
| SCHEMBL29938121 | 0.81 | GBA1 (0.53) | GBA1CYP3A4KDM4CAOC1AOC3 | |
| Hydrochloric Acid SCHEMBL21641310 | 0.79 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9GRIN2BCRHR1 | |
| SCHEMBL29937574 | 0.78 | GBA1 (0.50) | GBA1CYP3A4KDM4CALDH1A1CYP11B2 | |
| SCHEMBL23845320 | 0.78 | EPHX1 (0.57) | KDM4CALDH1A1CRHR1LMNAHTT | |
| SCHEMBL22393075 | 0.78 | EPHX1 (0.57) | KDM4CALDH1A1CRHR1LMNAHTT | |
| SCHEMBL901572 | 0.78 | EPHX1 (0.57) | KDM4CALDH1A1CRHR1LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-6693123-B2 | (4-(3-PYRIDYLAMINOMETHYLENE)-2-PHENYLBENZOYL)-N -METHYLMETHIONINE, METHYL ESTER FOR EXAMPLE; RESTENOSIS, HYPERPLASIA | UNIVERSITY OF PITTSBURGH | 2004-02-17 | — | — | US | disclosed |