Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9618641 | 0.88 | CYP2C9 (0.57) | CYP2C9ALDH1A1TSHRTDP1KIF11 | |
| SCHEMBL9056652 | 0.80 | CYP2C9 (0.54) | CYP2C9SMN1; SMN2HTTLMNAL3MBTL1 | |
| Benzylic Acid SCHEMBL7066 | 0.75 | CYP2C9 (0.74) | CYP2C9ALDH1A1TSHRSMN1; SMN2HTT | |
| SCHEMBL30445305 | 0.74 | ALDH1A1 (0.50) | CYP2C9ALDH1A1TSHRTDP1KIF11 | |
| SCHEMBL2241764 | 0.74 | ALDH1A1 (0.50) | CYP2C9ALDH1A1TSHRTDP1KIF11 | |
| SCHEMBL8583178 | 0.74 | ALDH1A1 (0.50) | CYP2C9ALDH1A1TSHRTDP1KIF11 | |
| Benzylic Acid SCHEMBL11049826 | 0.73 | CYP2C9 (0.71) | CYP2C9ALDH1A1TSHRSMN1; SMN2HTT | |
| Benzylic Acid SCHEMBL9181980 | 0.73 | CYP2C9 (0.71) | CYP2C9ALDH1A1TSHRSMN1; SMN2HTT | |
| Benzylic Acid SCHEMBL1680669 | 0.73 | CYP2C9 (0.71) | CYP2C9ALDH1A1TSHRSMN1; SMN2HTT | |
| Benzylic Acid SCHEMBL20957595 | 0.73 | CYP2C9 (0.71) | CYP2C9ALDH1A1TSHRSMN1; SMN2HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9157268-A | — | — | None | — | — | JP | disclosed |
| EP-0994093-B1 | POLYHYDROXYPHENOL DERIVATIVES AND PREVENTIVE AND THERAPEUTIC AGENTS FOR BONE AND CARTILAGE DISEASES CONTAINING THE SAME | HOECHST MARION ROUSSEL LTD (JP) | 2005-12-28 | — | — | EP | disclosed |
| JP-H09157268-A | PRODUCTION OF 7-HYDROXYISOFLAVONE AND ITS PURIFICATION | NIPPON KAYAKU CO LTD | 1997-06-17 | — | — | JP | disclosed |