Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5891521 | 0.84 | ALDH1A1 (0.55) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| Hydrochloric Acid SCHEMBL8393744 | 0.80 | CYP3A4 (0.43) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL8376101 | 0.76 | KMT2A (0.40) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL9525310 | 0.72 | RXRA (0.42) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL7758742 | 0.68 | ALDH1A1 (0.42) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL1751047 | 0.67 | SMN1; SMN2 (0.52) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL9525464 | 0.66 | ALDH1A1 (0.43) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL30797543 | 0.66 | ALDH1A1 (0.43) | ALDH1A1NPC1GAAMAPTNPSR1 | |
| SCHEMBL10909570 | 0.66 | ALDH1A1 (0.48) | ALDH1A1NPC1MAPTBCL2A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10914185 | 0.65 | ALDH1A1 (0.47) | ALDH1A1NPC1MAPTBCL2A1SMN1; SMN2 |
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-5859012-A | Inhibitors of farnesyl-protein transferase | MERCK & CO., INC. (US) | 1999-01-12 | — | — | US | disclosed |