Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | APEX1 | P27695 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.42 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GGT1 | P19440 | 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 | |
|---|---|---|---|---|
| SCHEMBL5839695 | 0.88 | APEX1 (0.56) | ALDH1A1APEX1KMT2APTK2BKDM4E | |
| SCHEMBL2446818 | 0.86 | APEX1 (0.57) | ALDH1A1APEX1KMT2APTK2BKDM4E | |
| SCHEMBL5839915 | 0.82 | APEX1 (0.53) | ALDH1A1APEX1KMT2APTK2BKDM4E | |
| SCHEMBL5839124 | 0.81 | SGMS2 (0.60) | ALDH1A1APEX1KMT2APTK2BHTT | |
| SCHEMBL5839089 | 0.81 | ALDH1A1 (0.62) | ALDH1A1KMT2APTK2BKDM4EHTT | |
| SCHEMBL28758280 | 0.79 | NPC1 (0.56) | ALDH1A1KMT2APTK2BKDM4EHTT | |
| SCHEMBL2451525 | 0.78 | ALDH1A1 (0.68) | ALDH1A1KMT2APTK2BKDM4EHTT | |
| SCHEMBL5839068 | 0.78 | ALDH1A1 (0.58) | ALDH1A1APEX1KMT2APTK2BKDM4E | |
| SCHEMBL5839649 | 0.78 | LMNA (0.59) | ALDH1A1KMT2APTK2BKDM4EHTT | |
| SCHEMBL28501298 | 0.78 | APEX1 (0.67) | ALDH1A1APEX1KMT2APTK2BKDM4E |
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 |