Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.56 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL4408604 | 0.88 | CA1 (0.66) | CA1CA2CA12CA9CA14 | |
| SCHEMBL10537396 | 0.88 | CA1 (0.70) | CA1CA2CA12CA9CA14 | |
| SCHEMBL4444431 | 0.88 | CA1 (0.70) | CA1CA2CA12CA9CA14 | |
| SCHEMBL10765175 | 0.87 | CA1 (0.56) | CA1CA2CA12CA9CA14 | |
| SCHEMBL6313233 | 0.87 | MEN1 (0.58) | CA1CA2CA12CA9CA14 | |
| SCHEMBL28823599 | 0.84 | MAPT (0.60) | CA1CA2CA12CA9CA14 | |
| SCHEMBL6049876 | 0.83 | TDP1 (0.52) | CA1CA2CA12CA9CA14 | |
| Ethylparaben SCHEMBL321650 | 0.81 | CA1 (0.85) | CA1CA2CA12CA9CA14 | |
| SCHEMBL30251598 | 0.81 | TSHR (0.64) | CA1CA2CA12CA9CA14 | |
| SCHEMBL11291961 | 0.81 | CA1 (0.61) | CA1CA2CA12CA9CA14 |
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-2005105730-A2 | METHOD OF PREPARING AN ALCOHOL FROM A HALOGENOAROMATIC COMPOUND AND AN ALDEHYDE | SHASUN PHARMA SOLUTIONS LIMITED (GB) | 2005-11-10 | — | — | WO | disclosed |