Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9197924 | 0.86 | MAPT (0.35) | KMT2ANCOA1NCOA3KDM4ESMN1; SMN2 | |
| SCHEMBL9193763 | 0.81 | MEN1 (0.36) | HTTKMT2ANCOA1NCOA3KDM4E | |
| SCHEMBL441934 | 0.80 | HTT (0.50) | HTTKMT2AHDAC1HDAC6SMN1; SMN2 | |
| SCHEMBL9197903 | 0.79 | ALDH1A1 (0.43) | HTTKMT2AMAPTALDH1A1 | |
| SCHEMBL9193384 | 0.79 | CYP2D6 (0.45) | HTTKDM4EALDH1A1GABRPGABRD | |
| SCHEMBL451366 | 0.79 | CYP2C19 (0.50) | HTTKMT2ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8806697 | 0.79 | HTT (0.48) | HTTKMT2AHDAC1HDAC6KDM4E | |
| SCHEMBL31276895 | 0.78 | KMT2A (0.52) | HTTKMT2AHDAC1HDAC6KDM4E | |
| SCHEMBL7599288 | 0.78 | KMT2A (0.52) | HTTKMT2AHDAC1HDAC6KDM4E | |
| SCHEMBL5904298 | 0.78 | HTT (0.52) | HTTKMT2ANCOA1NCOA3HDAC1 |
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 |