Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.37 |
| ▸ | UNG | P13051 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 3/20 | 0.33 |
| ▸ | MAOB | P27338 | 3/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28084038 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 | |
| SCHEMBL9699565 | 0.80 | CYP3A4 (0.58) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 | |
| SCHEMBL13392612 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 | |
| SCHEMBL31332438 | 0.72 | ALDH1A1 (0.52) | ALDH1A1KDM4EUNGCA12CA1 | |
| SCHEMBL28084037 | 0.70 | TDP1 (0.36) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 | |
| SCHEMBL30667492 | 0.69 | — | — | |
| SCHEMBL245731 | 0.69 | — | — | |
| SCHEMBL28295997 | 0.69 | CA12 (0.64) | ALDH1A1CYP3A4TDP1CYP19A1UNG | |
| SCHEMBL1039994 | 0.69 | CYP2A6 (0.56) | ALDH1A1MAPTUNGMAOAMAOB | |
| SCHEMBL29740784 | 0.69 | CYP2A6 (0.56) | ALDH1A1MAPTUNGMAOAMAOB |
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-7968648-B2 | Durability and heat stability; polyhydroxyamide (PHA) and related polymers with polymers that are flammable or unstable in heat (nylon) | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) | 2011-06-28 | — | — | US | disclosed |