Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.59 |
| ▸ | CA1 | P00915 | 3/20 | 0.59 |
| ▸ | CA2 | P00918 | 3/20 | 0.59 |
| ▸ | CA7 | P43166 | 3/20 | 0.59 |
| ▸ | CA9 | Q16790 | 3/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.54 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.49 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13229042 | 0.95 | CA12 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL707094 | 0.93 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7606531 | 0.88 | KDM4E (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8041186 | 0.87 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL23997992 | 0.86 | NPC1 (0.64) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6653048 | 0.84 | CA12 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30678268 | 0.84 | NPC1 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6233392 | 0.84 | NPC1 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6228537 | 0.83 | CA1 (0.70) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16687595 | 0.81 | CA12 (0.57) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109721490-A | The preparation method of 2,6- naphthalenedicarboxylic acid | 上野制药株式会社 | 2019-05-07 | — | — | CN | disclosed |