Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11558323 | 0.97 | SMN1; SMN2 (0.44) | HPGDCYP3A4SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL11762033 | 0.83 | LDHA (0.57) | HPGDALDH1A1TDP1EPHX2KMT2A | |
| SCHEMBL490334 | 0.81 | MAPK1 (0.51) | HPGDCYP3A4SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL13781589 | 0.80 | AKR1C3 (0.54) | HPGDCYP3A4SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL8563484 | 0.79 | MMP8 (0.46) | ALDH1A1TDP1L3MBTL1TSHRMAPK1 | |
| SCHEMBL8574971 | 0.78 | EPHX2 (0.51) | L3MBTL1TSHREPHX2KMT2APPARG | |
| SCHEMBL5680559 | 0.77 | LDHA (0.49) | KMT2ALDHAPPARGMEN1TACR1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL27728377 | 0.77 | SMN1; SMN2 (0.50) | HPGDCYP3A4SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL12035905 | 0.77 | EPHX2 (0.40) | SMN1; SMN2ALDH1A1L3MBTL1TSHREPHX2 | |
| SCHEMBL3436895 | 0.77 | EPHX2 (0.40) | ALDH1A1TSHREPHX2PPARGTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-6005010-A | CARDIOVASCULAR DISORDERS, ANTIARRHYTHMIA AGENTS AND ANTIISCHEMIC AGENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-12-21 | — | — | US | disclosed |