Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8544848 | 1.00 | KMT2A (0.46) | KMT2AMEN1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL14194446 | 1.00 | KMT2A (0.46) | KMT2AMEN1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL2767938 | 0.86 | THRB (0.50) | KMT2AMEN1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL79975 | 0.85 | KMT2A (0.52) | KMT2AMEN1ESR1ALDH1A1RAB9A | |
| SCHEMBL1898420 | 0.85 | KMT2A (0.52) | KMT2AMEN1ESR1ALDH1A1RAB9A | |
| SCHEMBL6418982 | 0.85 | KMT2A (0.52) | KMT2AMEN1ESR1ALDH1A1RAB9A | |
| SCHEMBL20365597 | 0.84 | KMT2A (0.44) | KMT2AMEN1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL31512537 | 0.84 | KMT2A (0.44) | KMT2AMEN1L3MBTL1ESR1ALDH1A1 | |
| SCHEMBL5189613 | 0.82 | KMT2A (0.55) | KMT2AMEN1ESR1ALDH1A1RAB9A | |
| SCHEMBL8022899 | 0.80 | TSHR (0.41) | KMT2AMEN1L3MBTL1ALDH1A1MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0702003-B1 | Process for preparing 2-halogenpyridinaldehydes | BAYER AG (DE) | 1998-06-17 | — | — | EP | disclosed |
| US-5708180-A | CYCLIZATION OF UNSATURATED NITRILE, AMIDE OR OXIME | BAYER AKTIENGESELLSCHAFT (DE) | 1998-01-13 | — | — | US | disclosed |
| EP-0702003-A2 | Process for preparing 2-halogenpyridinaldehydes and new 2-halogenpyridinaldehydes | BAYER AG (DE) | 1996-03-20 | — | — | EP | disclosed |