Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL754131 | 0.81 | CES1 (0.47) | ALDH1A1SMN1; SMN2CES1SRCMAPT | |
| SCHEMBL1252890 | 0.81 | CES1 (0.46) | ALDH1A1SMN1; SMN2HPGDRAB9ACES1 | |
| SCHEMBL1395461 | 0.78 | CES1 (0.50) | ALDH1A1SMN1; SMN2HPGDRAB9ACES1 | |
| SCHEMBL6438562 | 0.76 | CES1 (0.42) | ALDH1A1SMN1; SMN2NPSR1CES1SRC | |
| SCHEMBL27262759 | 0.75 | GAA (0.48) | ALDH1A1SMN1; SMN2HPGDHTTRAB9A | |
| SCHEMBL6253264 | 0.75 | CES1 (0.41) | ALDH1A1SMN1; SMN2HPGDCES1SRC | |
| SCHEMBL6447132 | 0.74 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2HPGDHTTCES1 | |
| SCHEMBL5483963 | 0.74 | CES1 (0.46) | ALDH1A1SMN1; SMN2HPGDCES1SRC | |
| SCHEMBL10311721 | 0.74 | ADAMTS4 (0.48) | ALDH1A1SMN1; SMN2HPGDHTTRAB9A | |
| SCHEMBL4769359 | 0.73 | KCNN4 (0.48) | ALDH1A1SMN1; SMN2HPGDHTTRAB9A |
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 |