Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.70 |
| ▸ | CA1 | P00915 | 4/20 | 0.70 |
| ▸ | CA2 | P00918 | 4/20 | 0.70 |
| ▸ | CA7 | P43166 | 4/20 | 0.70 |
| ▸ | CA9 | Q16790 | 4/20 | 0.70 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.64 |
| ▸ | MEN1 | O00255 | 4/20 | 0.64 |
| ▸ | RAB9A | P51151 | 2/20 | 0.64 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.64 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.64 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL5674688 | 1.00 | CA12 (0.70) | CA12CA1CA2CA7CA9 | |
| SCHEMBL799903 | 0.86 | TSHR (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8889056 | 0.83 | CA12 (0.64) | CA12CA1CA2CA7CA9 | |
| Methyl Vanillate SCHEMBL275939 | 0.82 | KMT2A (0.72) | CA12CA1CA2CA7CA9 | |
| Methyl Vanillate SCHEMBL29640509 | 0.82 | KMT2A (0.72) | CA12CA1CA2CA7CA9 | |
| Methyl Vanillate SCHEMBL25417789 | 0.82 | KMT2A (0.72) | CA12CA1CA2CA7CA9 | |
| SCHEMBL39248 | 0.82 | CA12 (1.00) | CA12CA1CA2CA7CA9 | |
| Methyl Vanillate SCHEMBL31157843 | 0.82 | KMT2A (0.72) | CA12CA1CA2CA7CA9 | |
| SCHEMBL26908643 | 0.82 | KMT2A (0.72) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8886754 | 0.82 | ALDH1A1 (0.55) | 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 |
|---|---|---|---|---|---|---|---|
| US-5686406-A | Vanillic acid ester perfuming agents | RHONE-POULENC CHIMIE (FR) | 1997-11-11 | — | — | US | disclosed |