Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | SI | P14410 | 2/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL29057824 | 0.92 | CA1 (0.59) | CA1CA9CA12CA2GLA | |
| Phenol SCHEMBL27956101 | 0.92 | CA1 (0.59) | CA1CA9CA12CA2GLA | |
| Biphenyl SCHEMBL27817926 | 0.83 | CA1 (0.56) | CA1CA9TDP1NAMPTKMT2A | |
| Butyrolactone SCHEMBL10683517 | 0.81 | CA1 (0.64) | CA1CA9NAMPTALDH1A1LMNA | |
| Fluorobenzene SCHEMBL28117066 | 0.80 | CA1 (0.52) | CA1CA9NAMPTKMT2AALDH1A1 | |
| Toluene SCHEMBL17041894 | 0.80 | CA1 (0.52) | CA1CA9TDP1NAMPTALDH1A1 | |
| Benzyl Alcohol SCHEMBL8433166 | 0.79 | TSHR (0.50) | CA1CA9TDP1NAMPTALDH1A1 | |
| Salicylic Acid SCHEMBL779475 | 0.79 | ALDH1A1 (0.58) | CA1CA9CA12CA2CA4 | |
| Butyrolactone SCHEMBL25427151 | 0.78 | CA1 (0.67) | CA1CA9NAMPTALDH1A1LMNA | |
| Butyrolactone SCHEMBL7686323 | 0.78 | CA1 (0.67) | CA1CA9NAMPTALDH1A1LMNA |
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-1109044-A | Preparation of purified diisopropylphenol from residual orthoisopropylphenol | ZHANG CHANGLI (CN) | 1995-09-27 | — | — | CN | disclosed |