Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30083971 | 0.92 | CYP1A2 (0.50) | SIGMAR1CYP1A2CYP2A6HRH3PDPK1 | |
| SCHEMBL4812047 | 0.92 | CYP1A2 (0.50) | SIGMAR1CYP1A2CYP2A6HRH3PDPK1 | |
| SCHEMBL25768450 | 0.88 | ALDH1A1 (0.42) | HRH3CYP3A4ALDH1A1ALOX15TSHR | |
| SCHEMBL3167430 | 0.88 | HRH3 (0.42) | HRH3CYP3A4 | |
| SCHEMBL3153258 | 0.84 | ESR1 (0.44) | CYP1A2HRH3PLAUPDPK1 | |
| SCHEMBL3162523 | 0.82 | MAOB (0.40) | CYP1A2HRH3CYP3A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL3159526 | 0.82 | HRH3 (0.41) | CYP1A2HRH3CYP3A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL3168235 | 0.82 | MAOB (0.40) | HRH3SMN1; SMN2SLC6A2SLC6A3PTGS2 | |
| SCHEMBL3165954 | 0.82 | MAOB (0.40) | HRH3SMN1; SMN2SLC6A2SLC6A3PTGS2 | |
| SCHEMBL3161037 | 0.82 | MAOB (0.40) | CYP1A2HRH3CYP3A4SMN1; SMN2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11335307-A | — | — | None | — | — | JP | disclosed |
| JP-H11335307-A | DIALKENYLNAPHTHALENE DERIVATIVE | DAINIPPON INK & CHEM INC | 1999-12-07 | — | — | JP | disclosed |