Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 4/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.33 |
| ▸ | TLR2 | O60603 | 1/20 | 0.33 |
| ▸ | TLR1 | Q15399 | 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 | |
|---|---|---|---|---|
| SCHEMBL29818698 | 0.81 | CA1 (0.52) | CA1CA2ALDH1A1TRIM24TYR | |
| SCHEMBL6204194 | 0.77 | CA1 (0.44) | CA1CA2ALDH1A1TRIM24TYR | |
| SCHEMBL31260381 | 0.77 | CA1 (0.36) | CA1CA2ALDH1A1TRIM24TYR | |
| SCHEMBL9760835 | 0.76 | CA1 (0.58) | CA1CA2ALDH1A1MCL1PRKDC | |
| SCHEMBL10541475 | 0.76 | ALDH1A1 (0.48) | CA1CA2ALDH1A1PRKDCERN1 | |
| SCHEMBL1361643 | 0.74 | CA1 (0.59) | CA1CA2ALDH1A1TRIM24TYR | |
| SCHEMBL11469559 | 0.71 | ALDH1A1 (0.44) | ALDH1A1TRIM24TYRTRIM33PRKDC | |
| SCHEMBL3345839 | 0.71 | CA1 (0.59) | CA1CA2ALDH1A1TRIM24TYR | |
| SCHEMBL29729025 | 0.71 | CA1 (0.59) | CA1CA2ALDH1A1TRIM24TYR | |
| SCHEMBL851964 | 0.71 | ALDH1A1 (0.52) | CA1CA2ALDH1A1TRIM24TYR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6199771-A | — | — | None | — | — | JP | disclosed |
| JP-H06199771-A | BENZALDEHYDE HAVING SUBSTITUENT GROUP AT 2,3 AND 4 POSITION AND IT DERIVATIVE | NIPPON SODA CO LTD | 1994-07-19 | — | — | JP | disclosed |