Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7987064 | 0.88 | ALDH1A1 (0.52) | ALDH1A1PLK1TAS1R3TAS1R1AKR1C3 | |
| SCHEMBL7987813 | 0.83 | HTR7 (0.45) | ALDH1A1MAPTCA2GAANPC1 | |
| SCHEMBL7973224 | 0.83 | HTT (0.42) | ALDH1A1MAPTTDP1CA2KMT2A | |
| SCHEMBL7973489 | 0.83 | KDM4E (0.41) | ALDH1A1MAPTGAALMNAKMT2A | |
| SCHEMBL7973495 | 0.83 | NPSR1 (0.46) | ALDH1A1SMN1; SMN2GAAADRA2BKCNH2 | |
| SCHEMBL7973336 | 0.82 | ALDH1A1 (0.53) | ALDH1A1PLK1TAS1R3TAS1R1AKR1C3 | |
| SCHEMBL7983580 | 0.81 | HDAC1 (0.43) | ALDH1A1MAPTTDP1CA2SMN1; SMN2 | |
| SCHEMBL7983696 | 0.81 | CES2 (0.46) | TAS1R3TAS1R1CA2 | |
| SCHEMBL7987821 | 0.81 | USP5 (0.41) | ALDH1A1MAPTSMN1; SMN2NPC1RXRA | |
| SCHEMBL7984806 | 0.80 | PARP10 (0.50) | ALDH1A1PLK1TAS1R3TAS1R1CA2 |
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-6331628-B1 | REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-18 | — | — | US | disclosed |