Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | F2R | P25116 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7974323 | 0.89 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9AF2R | |
| SCHEMBL7990897 | 0.83 | F2R (0.46) | ALDH1A1F2RHTTHPGDKMT2A | |
| SCHEMBL7983472 | 0.83 | FLT1 (0.52) | ALDH1A1SMN1; SMN2NPC1RAB9AF2R | |
| SCHEMBL7990936 | 0.81 | HPGD (0.55) | ALDH1A1SMN1; SMN2NPC1RAB9AF2R | |
| SCHEMBL7991909 | 0.81 | HPGD (0.56) | ALDH1A1SMN1; SMN2NPC1RAB9AF2R | |
| SCHEMBL20540502 | 0.80 | F2R (0.48) | ALDH1A1SMN1; SMN2NPC1RAB9AF2R | |
| SCHEMBL18921221 | 0.80 | SMN1; SMN2 (0.46) | ALDH1A1SMN1; SMN2NPC1RAB9AF2R | |
| SCHEMBL7973398 | 0.79 | KCNA5 (0.41) | ALDH1A1F2RHTTHPGDKMT2A | |
| SCHEMBL7987112 | 0.79 | CTSD (0.58) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL7985045 | 0.78 | MYC (0.55) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD |
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 |