Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.58 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.50 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7986975 | 0.90 | NPC1 (0.59) | TAS1R3TAS1R1NPC1RAB9AMEN1 | |
| SCHEMBL7987790 | 0.88 | KAT6A (0.57) | NPC1RAB9AKMT2AMAPTALDH1A1 | |
| SCHEMBL7973301 | 0.85 | SMPD1 (0.64) | MEN1KMT2AKAT6A | |
| SCHEMBL7983702 | 0.82 | CA1 (0.57) | TAS1R3TAS1R1NPC1RAB9AKMT2A | |
| SCHEMBL7989112 | 0.81 | L3MBTL1 (0.59) | NPC1RAB9AMEN1KMT2AGAA | |
| SCHEMBL7987668 | 0.81 | HDAC8 (0.58) | TAS1R3TAS1R1NPC1RAB9AMEN1 | |
| SCHEMBL2172190 | 0.81 | NPC1 (0.62) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL30437232 | 0.80 | HDAC1 (0.57) | NPC1RAB9AMEN1KMT2AGAA | |
| SCHEMBL7991794 | 0.80 | FLT1 (0.57) | MEN1KMT2AMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL7983796 | 0.80 | HDAC1 (0.57) | NPC1RAB9AMEN1KMT2AGAA |
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 |