Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 2/20 | 0.45 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
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 SCHEMBL1398374 | 0.85 | CA12 (0.48) | CA12CA2CA9CA14LMNA | |
| Phenol SCHEMBL7285124 | 0.83 | CA12 (0.46) | CA12CA2CA9CA14LMNA | |
| Phenol SCHEMBL27804564 | 0.83 | CA12 (0.46) | CA12CA2CA9CA14LMNA | |
| Phenol SCHEMBL27729822 | 0.83 | CA12 (0.46) | CA12CA2CA9CA14LMNA | |
| Phenol SCHEMBL28185266 | 0.82 | CA12 (0.44) | CA12CA2CA9CA14LMNA | |
| Naphthalene SCHEMBL28178058 | 0.80 | CA12 (0.42) | CA12ALDH1A1CA2CA9CA14 | |
| Betanaphthol SCHEMBL27967410 | 0.80 | CYP1A2 (0.59) | ALDH1A1CYP3A4HSD17B10HSD17B1HSD17B2 | |
| SCHEMBL29030198 | 0.79 | ALDH1A1 (0.35) | ALDH1A1CYP3A4MAPT | |
| Phenol SCHEMBL29273161 | 0.79 | CA12 (0.41) | CA12ALDH1A1CA2CYP3A4CA9 | |
| Benzene SCHEMBL28097781 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009066060-A2 | 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE | TOPOTARGET A/S (DK) | 2009-05-28 | — | — | WO | disclosed |