Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL25684289 | 0.84 | SMN1; SMN2 (0.36) | ALDH1A1POLBNPC1SMN1; SMN2MAPT | |
| SCHEMBL11637557 | 0.82 | MAPT (0.51) | ALDH1A1POLBNPC1SMN1; SMN2MAPT | |
| SCHEMBL7091347 | 0.81 | MAPT (0.47) | ALDH1A1POLBNPC1SMN1; SMN2MAPT | |
| SCHEMBL7091354 | 0.81 | L3MBTL1 (0.40) | ALDH1A1POLBNPC1SMN1; SMN2L3MBTL1 | |
| SCHEMBL9198708 | 0.79 | ALDH1A1 (0.44) | ALDH1A1POLBNPC1SMN1; SMN2MAPT | |
| SCHEMBL9995068 | 0.79 | PTK2 (0.49) | ALDH1A1POLBNPC1SMN1; SMN2MAPT | |
| SCHEMBL21597026 | 0.79 | L3MBTL1 (0.39) | POLBNPC1SMN1; SMN2MAPTKCNH2 | |
| SCHEMBL913171 | 0.79 | L3MBTL1 (0.39) | ALDH1A1NPC1SMN1; SMN2MAPTKCNH2 | |
| SCHEMBL9193957 | 0.76 | CA5A (0.37) | ALDH1A1POLBNPC1SMN1; SMN2RAB9A | |
| SCHEMBL914646 | 0.74 | GAA (0.54) | ALDH1A1SMN1; SMN2MAPTPKMDYRK1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0299277-B1 | Process for the preparation of substituted pyridyl-alkyl ketones | BAYER AG (DE) | 1995-10-18 | — | — | EP | disclosed |
| US-4990620-A | Halogen substituted pyridylalkyl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |
| US-4927938-A | Halogen substituted pyridylalkyl ketones | BAYER AKTIENGESELLSCHAFT (DE) | 1990-05-22 | — | — | US | disclosed |
| EP-0299277-A2 | Process for the preparation of substituted pyridyl-alkyl ketones | BAYER AG (DE) | 1989-01-18 | — | — | EP | disclosed |