Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.56 |
| ▸ | CA2 | P00918 | 5/20 | 0.55 |
| ▸ | CA12 | O43570 | 4/20 | 0.55 |
| ▸ | CA1 | P00915 | 4/20 | 0.55 |
| ▸ | CA9 | Q16790 | 4/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.55 |
| ▸ | CA4 | P22748 | 4/20 | 0.55 |
| ▸ | CA3 | P07451 | 3/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL736 | 0.89 | — | — | |
| SCHEMBL80529 | 0.81 | MAPT (0.60) | CES2CA2CA12CA1CA9 | |
| Benzamide SCHEMBL1785440 | 0.80 | PARP1 (0.80) | CES2CA2CA12CA1CA9 | |
| Benzophenone SCHEMBL28197225 | 0.80 | ALDH1A1 (0.70) | CES2CA2CA12CA1CA9 | |
| SCHEMBL28126175 | 0.80 | ALDH1A1 (0.70) | CES2TDP1MAPTCYP3A4KMT2A | |
| Benzamide SCHEMBL9619649 | 0.80 | PARP1 (0.80) | CES2CA2CA12CA1CA9 | |
| Benzoic Acid SCHEMBL25410474 | 0.79 | TSHR (0.78) | CES2CA2CA12CA1CA9 | |
| Benzoic Acid SCHEMBL10630775 | 0.79 | TSHR (0.78) | CES2CA2CA12CA1CA9 | |
| Benzoic Acid SCHEMBL484290 | 0.79 | TSHR (0.78) | CES2CA2CA12CA1CA9 | |
| Benzophenone SCHEMBL5071338 | 0.79 | ALDH1A1 (0.78) | CES2CA2CA12CA1CA9 |
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-104379628-B | Sulfonium compound, it prepares and application thereof | 巴斯夫欧洲公司 | 2016-11-16 | — | — | CN | disclosed |