Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12003255 | 0.81 | CES1 (0.46) | CES1TDP1MAPTHPGDMAPK1 | |
| SCHEMBL251616 | 0.81 | CES1 (0.50) | CES1MAPTSMN1; SMN2MEN1CYP3A4 | |
| SCHEMBL5844751 | 0.80 | KMT2A (0.47) | CES1L3MBTL1TDP1MAPK1MEN1 | |
| SCHEMBL9192066 | 0.79 | CES1 (0.47) | CES1L3MBTL1TDP1MAPTMAPK1 | |
| SCHEMBL11101775 | 0.78 | CES1 (0.53) | CES1L3MBTL1TDP1MAPTHPGD | |
| Ether SCHEMBL6049600 | 0.78 | CES1 (0.46) | CES1MAPTSMN1; SMN2MEN1CYP3A4 | |
| SCHEMBL2814678 | 0.78 | CES1 (0.46) | CES1MAPTHPGDSRCRAB9A | |
| SCHEMBL948686 | 0.78 | CES1 (0.50) | CES1TDP1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL621110 | 0.77 | CES1 (0.52) | CES1L3MBTL1TDP1MAPTMAPK1 | |
| SCHEMBL2819529 | 0.76 | CES1 (0.45) | CES1L3MBTL1TDP1MAPK1CYP3A4 |
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 |