Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 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 | |
|---|---|---|---|---|
| SCHEMBL9192054 | 0.84 | KMT2A (0.46) | MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9193384 | 0.81 | CYP2D6 (0.45) | PPARAHTTLMNAALDH1A1CA12 | |
| SCHEMBL9195960 | 0.79 | CA5A (0.40) | MEN1KMT2ATTRMAPTSMN1; SMN2 | |
| SCHEMBL9193763 | 0.79 | MEN1 (0.36) | CYP3A4MEN1PTGS1DRD3KMT2A | |
| SCHEMBL14309677 | 0.78 | PPARA (0.36) | PPARAHTTLMNAALDH1A1CA12 | |
| SCHEMBL2922164 | 0.77 | NAPRT (0.39) | MEN1KMT2ATTRSMN1; SMN2ALDH1A1 | |
| SCHEMBL199221 | 0.77 | TTR (0.54) | MEN1KMT2ATTRLMNAALDH1A1 | |
| SCHEMBL198706 | 0.75 | MAPK1 (0.47) | KMT2AMAPTL3MBTL1LMNAALDH1A1 | |
| SCHEMBL2693391 | 0.75 | MAPT (0.39) | PPARAMEN1KMT2AMAPTL3MBTL1 | |
| SCHEMBL6808373 | 0.75 | TTR (0.56) | PPARACYP3A4MEN1PTGS1DRD3 |
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 5 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-5041448-A | Antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-08-20 | — | — | US | 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 |