Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.56 |
| ▸ | CA2 | P00918 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | CA6 | P23280 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL8394420 | 0.91 | CES2 (0.61) | CA1CA2TSHRTP53CES2 | |
| Benzene SCHEMBL28195988 | 0.84 | TSHR (0.60) | TSHRCES2CES1ALDH1A1SMN1; SMN2 | |
| SCHEMBL42428 | 0.84 | TSHR (0.60) | TSHRCES2CES1ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL31042902 | 0.82 | TSHR (0.58) | TSHRCES2CES1ALDH1A1SMN1; SMN2 | |
| SCHEMBL2601260 | 0.82 | CA1 (0.61) | CA1CA2TSHRCES2CES1 | |
| SCHEMBL28450705 | 0.82 | MAPT (0.52) | CES2CES1ALDH1A1SMN1; SMN2KMT2A | |
| Methyl Alcohol SCHEMBL27896190 | 0.82 | TSHR (0.58) | TSHRCES2CES1ALDH1A1SMN1; SMN2 | |
| SCHEMBL2440560 | 0.82 | CA1 (0.61) | CA1CA2TSHRALDH1A1CA12 | |
| SCHEMBL3757531 | 0.82 | CES2 (0.65) | CES2CES1ALDH1A1SMN1; SMN2SRD5A2 | |
| Water SCHEMBL27946908 | 0.82 | TSHR (0.58) | TSHRCES2CES1ALDH1A1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1973405-A2 | HYDROXYALKYLARYLAMIDE DERIVATIVES | Merck & Co., Inc. (US) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007087130-A2 | HYDROXYALKYLARYLAMIDE DERIVATIVES | MERCK & CO., INC. (US) | 2007-08-02 | — | — | WO | disclosed |