Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6271777 | 0.94 | ALDH1A1 (0.46) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL27739393 | 0.82 | ALDH1A1 (0.46) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL11330873 | 0.81 | ALDH1A1 (0.48) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL30803699 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL5370663 | 0.79 | ALDH1A1 (0.43) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL20509030 | 0.78 | ALDH1A1 (0.50) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL6566174 | 0.78 | ALDH1A1 (0.44) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL8316594 | 0.75 | ALDH1A1 (0.50) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL27391665 | 0.74 | ALDH1A1 (0.46) | ALDH1A1KMT2AMAPK1L3MBTL1LMNA | |
| SCHEMBL7398207 | 0.74 | ALDH1A1 (0.45) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1246830-A1 | MACROCYCLIC CHELANTS FOR METALLOPHARMACEUTICALS | Bristol-Myers Squibb Pharma Company (US) | 2002-10-09 | — | — | EP | disclosed |
| WO-2001019838-A1 | MACROCYCLIC CHELANTS FOR METALLOPHARMACEUTICALS | DU PONT PHARMACEUTICALS COMPANY (US) | 2001-03-22 | — | — | WO | disclosed |