Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7605720 | 0.89 | NPC1 (0.47) | ALDH1A1SMN1; SMN2NPC1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL5351575 | 0.88 | NPC1 (0.46) | ALDH1A1SMN1; SMN2NPC1LMNAMAPT | |
| SCHEMBL31026796 | 0.83 | TRPA1 (0.42) | ALDH1A1SMN1; SMN2NPC1LMNAMAPT | |
| SCHEMBL27355090 | 0.79 | NPC1 (0.49) | ALDH1A1SMN1; SMN2NPC1LMNAMAPT | |
| SCHEMBL5082800 | 0.78 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2NPC1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL17698553 | 0.77 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2NPC1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL3683321 | 0.77 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2NPC1LMNAMAPT | |
| SCHEMBL3683324 | 0.74 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2NPC1LMNAMAPT | |
| SCHEMBL8917213 | 0.73 | MAOA (0.37) | ALDH1A1SMN1; SMN2NPC1TRPA1CYP2A6 | |
| SCHEMBL12017104 | 0.71 | NPC1 (0.49) | ALDH1A1SMN1; SMN2NPC1LMNAMAPT |
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-5668230-A | METALLOCENE WITH ETHYLENE BRIDGED FLUORENE UNITS, ALUMOXANE COCATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1997-09-16 | — | — | US | disclosed |