Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | PDE9A | O76083 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8545018 | 0.81 | ADORA1 (0.41) | ALDH1A1NPSR1TDP1KMT2AMEN1 | |
| SCHEMBL8548859 | 0.78 | PIK3CD (0.39) | ALDH1A1NPSR1TDP1KMT2AMEN1 | |
| SCHEMBL8547684 | 0.76 | PIK3CD (0.37) | ALDH1A1NPSR1TDP1KMT2AMEN1 | |
| SCHEMBL31111404 | 0.76 | KMT2A (0.34) | ALDH1A1NPSR1TDP1KMT2AMEN1 | |
| SCHEMBL8544979 | 0.76 | KMT2A (0.34) | ALDH1A1NPSR1TDP1KMT2AMEN1 | |
| SCHEMBL161948 | 0.72 | L3MBTL1 (0.60) | ALDH1A1KMT2AMEN1RXFP1ADORA2A | |
| SCHEMBL1162718 | 0.69 | ALDH1A1 (0.43) | ALDH1A1NPSR1TDP1KMT2AMEN1 | |
| SCHEMBL2847202 | 0.68 | ALDH1A1 (0.51) | ALDH1A1NPSR1TDP1KMT2AMEN1 | |
| SCHEMBL16681058 | 0.68 | ALDH1A1 (0.59) | ALDH1A1NPSR1TDP1KMT2AMEN1 | |
| SCHEMBL30540217 | 0.68 | ALDH1A1 (0.37) | ALDH1A1NPSR1TDP1KMT2AMEN1 |
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 |