Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | AKT2 | P31751 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL3974332 | 0.81 | AKT2 (0.48) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL28733206 | 0.79 | AKT2 (0.47) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL9681687 | 0.79 | POLB (0.52) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL2852708 | 0.77 | PDE4A (0.44) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL28754177 | 0.77 | PDE4A (0.44) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL807863 | 0.76 | ALDH1A1 (0.70) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL28477097 | 0.76 | PDE4A (0.43) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL28348785 | 0.76 | CYP1A1 (0.42) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL4651266 | 0.75 | ESR2 (0.44) | ALDH1A1KMT2AAKT2PDE4APDE4B | |
| SCHEMBL22554699 | 0.74 | ALDH1A1 (0.67) | ALDH1A1TP53CYP3A4TSHRTDP1 |
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-5112942-A | Copolymers, aromatic diamine with alkyl substituents and phenoxy substituted aromatic diamine, resistance to stess cracking | ETHYL CORPORATION (US) | 1992-05-12 | — | — | US | disclosed |