Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7973249 | 0.88 | ALDH1A1 (0.47) | ALDH1A1PLK1TAS1R3TAS1R1AKR1C3 | |
| SCHEMBL7973336 | 0.87 | ALDH1A1 (0.53) | ALDH1A1PLK1TAS1R3TAS1R1AKR1C3 | |
| SCHEMBL7990725 | 0.83 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2TDP1GAANPC1 | |
| SCHEMBL7984824 | 0.81 | HTT (0.46) | ALDH1A1SMN1; SMN2CA2GAANPC1 | |
| SCHEMBL7990882 | 0.81 | HTT (0.46) | ALDH1A1AKR1C3CA2KMT2AMAPT | |
| SCHEMBL7987131 | 0.81 | HTR7 (0.44) | ALDH1A1CA2GAANPC1KMT2A | |
| SCHEMBL6316440 | 0.81 | NPSR1 (0.55) | ALDH1A1SMN1; SMN2TDP1KMT2ALMNA | |
| SCHEMBL7983730 | 0.79 | CES2 (0.50) | PLK1TAS1R3TAS1R1CA2MAPT | |
| SCHEMBL7973511 | 0.79 | USP5 (0.45) | ALDH1A1SMN1; SMN2CA2RXRARXRB | |
| SCHEMBL7984979 | 0.79 | HDAC1 (0.46) | ALDH1A1SMN1; SMN2CA2TDP1NPC1 |
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 |