Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
| ▸ | RBP4 | P02753 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7973481 | 0.89 | ALDH1A1 (0.37) | CA12CA9ALDH1A1TSHRTDP1 | |
| SCHEMBL7990893 | 0.81 | USP2 (0.38) | CA12CA9ALDH1A1TSHRUSP2 | |
| SCHEMBL7973452 | 0.80 | NPC1 (0.39) | CA12CA9ALDH1A1NPC1RECQL | |
| SCHEMBL7991901 | 0.80 | USP2 (0.49) | CA12CA9ALDH1A1TSHRUSP2 | |
| SCHEMBL7990928 | 0.80 | HPGD (0.44) | CA12CA9ALDH1A1TP53NPC1 | |
| SCHEMBL7986988 | 0.79 | TDP1 (0.39) | CA9ALDH1A1TSHRTDP1HSD11B1 | |
| SCHEMBL7973353 | 0.79 | SLC6A2 (0.36) | CA12CA9 | |
| SCHEMBL7987106 | 0.78 | CTSD (0.46) | ALDH1A1TP53NPC1RAB9A | |
| SCHEMBL7984830 | 0.77 | HCRTR1 (0.49) | ALDH1A1TSHRKDM4ERAB9AGAA | |
| SCHEMBL7973495 | 0.76 | NPSR1 (0.46) | CA12CA9ALDH1A1TSHRHSD11B1 |
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 |