Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 3/20 | 0.56 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 5/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7987067 | 0.88 | PLK1 (0.61) | PLK1TAS1R3TAS1R1PTPN1ALDH1A1 | |
| SCHEMBL7984813 | 0.85 | HDAC1 (0.53) | PTPN1ALDH1A1TDP1GAAKDM1A | |
| SCHEMBL7973491 | 0.83 | FLT1 (0.56) | PTPN1ALDH1A1GAALMNANPC1 | |
| SCHEMBL7973227 | 0.83 | HDAC3 (0.53) | PTPN1ALDH1A1KDM1ANPC1HPGD | |
| SCHEMBL7987817 | 0.83 | HTR7 (0.51) | PTPN1ALDH1A1TDP1GAALMNA | |
| SCHEMBL7973501 | 0.83 | PTPN1 (0.53) | PTPN1ALDH1A1GAAKDM1ALMNA | |
| SCHEMBL7983583 | 0.82 | HDAC1 (0.56) | ALDH1A1LMNANPC1HPGDSMN1; SMN2 | |
| SCHEMBL7973340 | 0.81 | PLK1 (0.61) | PLK1TAS1R3TAS1R1PTPN1ALDH1A1 | |
| SCHEMBL7983702 | 0.81 | CA1 (0.57) | PLK1TAS1R3TAS1R1ALDH1A1LMNA | |
| SCHEMBL1355883 | 0.80 | PTPN1 (0.45) | PLK1PTPN1KDM1A |
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 |