Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TGM2 | P21980 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3293396 | 0.85 | CYP1A2 (0.44) | CYP1A2ALDH1A1SMN1; SMN2LMNARORC | |
| SCHEMBL3296230 | 0.81 | KDM4E (0.39) | CYP1A2ALDH1A1SMN1; SMN2LMNAMEN1 | |
| SCHEMBL5697403 | 0.76 | SIGMAR1 (0.43) | ALDH1A1 | |
| SCHEMBL633303 | 0.74 | LMNA (0.55) | CYP1A2ALDH1A1SMN1; SMN2LMNAMEN1 | |
| SCHEMBL633304 | 0.74 | LMNA (0.55) | CYP1A2ALDH1A1SMN1; SMN2LMNAMEN1 | |
| SCHEMBL6154117 | 0.74 | LMNA (0.55) | CYP1A2ALDH1A1SMN1; SMN2LMNAMEN1 | |
| SCHEMBL5697392 | 0.73 | NFKB1 (0.53) | CYP1A2ALDH1A1SMN1; SMN2LMNAATM | |
| SCHEMBL30441172 | 0.72 | RORC (0.41) | CYP1A2SMN1; SMN2LMNARORCTGM2 | |
| SCHEMBL6787851 | 0.70 | DRD2 (0.43) | ALDH1A1LMNA | |
| SCHEMBL6787860 | 0.70 | DRD2 (0.43) | ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1675842-A1 | DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Wyeth (US) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005040146-A1 | DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | WYETH (US) | 2005-05-06 | — | — | WO | disclosed |