Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7038051 | 0.92 | LMNA (0.47) | KMT2ATDP1SLC6A2SLC6A3CES1 | |
| SCHEMBL5843915 | 0.85 | CES1 (0.42) | KMT2ACES1NPC1RAB9ASRC | |
| SCHEMBL5844452 | 0.85 | CES1 (0.39) | KMT2ATDP1SLC6A2SLC6A3CES1 | |
| SCHEMBL10659412 | 0.84 | ALDH1A1 (0.44) | KMT2ATDP1SLC6A2SLC6A3NPC1 | |
| SCHEMBL5843909 | 0.84 | MRGPRX4 (0.45) | KMT2ATDP1NPC1RAB9AMEN1 | |
| SCHEMBL251616 | 0.81 | CES1 (0.50) | KMT2ACES1NPC1SRCALDH1A1 | |
| SCHEMBL12003255 | 0.81 | CES1 (0.46) | KMT2ATDP1CES1SRCALDH1A1 | |
| SCHEMBL5844995 | 0.80 | CES1 (0.45) | KMT2ATDP1CES1NPC1RAB9A | |
| SCHEMBL6060765 | 0.79 | KMT2A (0.53) | KMT2ATDP1SLC6A2SLC6A3CES1 | |
| SCHEMBL4168819 | 0.79 | KMT2A (0.53) | KMT2ATDP1SLC6A2SLC6A3CES1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6984645-B2 | Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-01-10 | — | — | US | disclosed |