Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | NNMT | P40261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9198708 | 0.84 | ALDH1A1 (0.44) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL25684289 | 0.79 | SMN1; SMN2 (0.36) | ALDH1A1RAB9ANPC1NNMTPOLB | |
| SCHEMBL4514060 | 0.78 | GRM5 (0.57) | RAB9ANPC1KMT2AMEN1GRM5 | |
| SCHEMBL2421365 | 0.77 | KMT2A (0.51) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL25684291 | 0.76 | PKM (0.45) | ALDH1A1NNMTKMT2ASMN1; SMN2CA5A | |
| SCHEMBL9195960 | 0.76 | CA5A (0.40) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL2750787 | 0.76 | KMT2A (0.43) | ALDH1A1KMT2AMEN1RXFP1GRM5 | |
| SCHEMBL9192048 | 0.74 | CYP2D6 (0.45) | ALDH1A1NNMTKMT2AMEN1RXFP1 | |
| SCHEMBL3642334 | 0.73 | P4HTM (0.58) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL12909531 | 0.72 | KMT2A (0.50) | RAB9ANPC1KMT2AMEN1POLB |
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 |