Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 5/20 | 0.61 |
| ▸ | CTSB | P07858 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3766430 | 0.83 | CYP2A13 (0.50) | CYP2A13CTSBALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL3774742 | 0.83 | CTSB (0.53) | CYP2A13CTSBALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28814466 | 0.83 | CTSB (0.50) | CYP2A13CTSBALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28795439 | 0.82 | CTSB (0.46) | CYP2A13CTSBALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28795437 | 0.81 | CTSB (0.48) | CYP2A13CTSBALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL3721123 | 0.81 | CYP2A13 (0.54) | CYP2A13CTSBALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2141932 | 0.79 | HCRTR1 (0.52) | CYP2A13CTSBALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28852963 | 0.77 | CYP2A13 (0.75) | CYP2A13ALDH1A1SMN1; SMN2LMNAMEN1 | |
| SCHEMBL4108854 | 0.77 | CYP2A13 (1.00) | CYP2A13ALDH1A1LMNAMAPTTDP1 | |
| SCHEMBL9059147 | 0.77 | ALDH1A1 (0.55) | CTSBALDH1A1LMNAMAPTTDP1 |
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-1996017612-A1 | USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA | KNOLL AKTIENGESELLSCHAFT (DE) | 1996-06-13 | — | — | WO | disclosed |