Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.51 |
| ▸ | PDE5A | O76074 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL4428683 | 0.81 | PDE5A (0.61) | CYP1A2SCN8APDE5ACYP2D6KDM4E | |
| SCHEMBL4427114 | 0.72 | VDR (0.50) | KDM4EGAAPPARD | |
| SCHEMBL13865173 | 0.70 | PDE5A (0.53) | CYP1A2SCN8APDE5ACYP2D6KDM4E | |
| SCHEMBL4494497 | 0.68 | ALDH1A1 (0.53) | CYP1A2SCN8AL3MBTL1KDM4EALDH1A1 | |
| SCHEMBL4424864 | 0.68 | F2RL3 (0.52) | CYP1A2SCN8APDE5ACYP2D6KDM4E | |
| SCHEMBL27669290 | 0.68 | L3MBTL1 (0.56) | CYP1A2SCN8ACYP2D6L3MBTL1KDM4E | |
| SCHEMBL4434101 | 0.67 | BUB1 (0.45) | PDE5A | |
| SCHEMBL4429083 | 0.67 | PDE5A (0.58) | CYP1A2SCN8APDE5ACYP2D6KDM4E | |
| SCHEMBL9833283 | 0.64 | ALDH1A1 (0.54) | KDM4EALDH1A1LMNAPPARD | |
| SCHEMBL4479319 | 0.64 | SMN1; SMN2 (0.52) | CYP1A2SCN8AKDM4EALDH1A1LMNA |
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-6414009-B1 | CARDIOVASCULAR DISORDERS; ANTICOAGULANTS | BAYER AKTIENGESELLSCHAFT (DE) | 2002-07-02 | — | — | US | disclosed |