Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.35 |
| ▸ | GLS | O94925 | 2/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL11249698 | 0.82 | CYP1A2 (0.38) | CYP1A2KDM4EALDH1A1LMNAF2 | |
| Hydrochloric Acid SCHEMBL11256885 | 0.77 | ALDH1A1 (0.36) | CYP1A2KDM4EALDH1A1LMNACXCL8 | |
| SCHEMBL7291902 | 0.76 | AKR1B1 (0.42) | CYP1A2KDM4EALDH1A1LMNAAKR1B1 | |
| SCHEMBL8668403 | 0.72 | MAPT (0.47) | KDM4EALDH1A1F2F10PLAU | |
| SCHEMBL29651971 | 0.71 | MAPT (0.53) | KDM4EALDH1A1LMNAGPR55MEN1 | |
| SCHEMBL11437353 | 0.70 | CYP1A2 (0.42) | CYP1A2KDM4EALDH1A1LMNACXCL8 | |
| Hydrochloric Acid SCHEMBL7942179 | 0.70 | MAPT (0.46) | KDM4EALDH1A1F2F10PLAU | |
| SCHEMBL11247633 | 0.70 | ALDH1A1 (0.48) | CYP1A2ALDH1A1LMNAAKR1B1MEN1 | |
| SCHEMBL11057728 | 0.69 | CYP1A2 (0.49) | CYP1A2KDM4EALDH1A1LMNAMEN1 | |
| SCHEMBL11249016 | 0.69 | ADRA2A (0.49) | CYP1A2KDM4EALDH1A1LMNAAKR1B1 |
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-4318915-A | Substituted guandines and methods of preparation thereof | BEIERSDORF AKTIENGESELLSCHAFT (DE) | 1982-03-09 | — | — | US | disclosed |