Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | RBP4 | P02753 | 3/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
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 | 0.83 | ALDH1A1 (0.37) | TDP1ALDH1A1TSHRHSD11B1CA2 | |
| SCHEMBL7973394 | 0.79 | CA12 (0.39) | TDP1ALDH1A1TSHRHSD11B1ALOX15 | |
| SCHEMBL7973382 | 0.78 | HPGD (0.42) | ALDH1A1 | |
| SCHEMBL7985043 | 0.76 | NPC1 (0.41) | ALDH1A1TSHRCA2CA1CA9 | |
| SCHEMBL7973356 | 0.76 | CES2 (0.50) | ALDH1A1KMT2A | |
| SCHEMBL7991022 | 0.76 | CES2 (0.50) | TDP1ALDH1A1TSHRALOX15MEN1 | |
| SCHEMBL10902853 | 0.75 | ALDH1A1 (0.39) | TDP1ALDH1A1TSHRHSD11B1CA2 | |
| SCHEMBL7987828 | 0.75 | CLCN2 (0.38) | ALDH1A1TSHRCA9 | |
| SCHEMBL7987932 | 0.75 | L3MBTL1 (0.43) | TSHRCA2CA1CA9KMT2A | |
| SCHEMBL1148444 | 0.74 | ALDH1A1 (0.50) | TDP1ALDH1A1TSHRCA2ALOX15 |
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 |