Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 2/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.49 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.43 |
| ▸ | CA6 | P23280 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL363928 | 0.85 | KEAP1 (0.50) | AKR1C2AKR1C1ALBACMSDALDH1A1 | |
| SCHEMBL31258575 | 0.85 | KEAP1 (0.50) | AKR1C2AKR1C1ALBACMSDALDH1A1 | |
| Bromide SCHEMBL28745862 | 0.83 | KEAP1 (0.48) | AKR1C2AKR1C1ALBACMSDALDH1A1 | |
| Hydrochloric Acid SCHEMBL11035410 | 0.83 | KEAP1 (0.48) | AKR1C2AKR1C1ALBACMSDALDH1A1 | |
| SCHEMBL1713733 | 0.80 | KDM4E (0.54) | AKR1C2AKR1C1ALBACMSDALDH1A1 | |
| Pyromellitic Acid SCHEMBL27882498 | 0.78 | CA12 (0.58) | ACMSDALDH1A1ALOX15CA12CA1 | |
| SCHEMBL5872835 | 0.78 | KDM4E (0.52) | AKR1C2AKR1C1ALBACMSDALDH1A1 | |
| Phthalic Acid SCHEMBL29523381 | 0.75 | ALDH1A1 (0.78) | ALDH1A1ALOX15CA12CA1CA2 | |
| Phthalic Acid SCHEMBL1779427 | 0.75 | ALDH1A1 (0.78) | ALDH1A1ALOX15CA12CA1CA2 | |
| Phthalic Acid SCHEMBL251478 | 0.75 | ALDH1A1 (0.78) | ALDH1A1ALOX15CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2001883-B1 | AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK SHARP & DOHME (US) | 2012-04-18 | — | — | EP | disclosed |