Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 3/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27505331 | 0.79 | MAOA (0.34) | ALDH1A1MAOAMAOB | |
| SCHEMBL27505716 | 0.79 | ALOX5 (0.36) | LMNAMAOAMAOBGAA | |
| SCHEMBL27531535 | 0.76 | ALDH1A1 (0.42) | ALDH1A1MAPTSMN1; SMN2LMNAGAA | |
| SCHEMBL27490045 | 0.73 | TSHR (0.32) | MAPTPOLB | |
| SCHEMBL27492138 | 0.72 | KDM4E (0.47) | ALDH1A1KDM4E | |
| SCHEMBL27508117 | 0.72 | DHODH (0.42) | ALDH1A1MAPTCYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL27505330 | 0.71 | KDM4E (0.49) | ALDH1A1MAPTSMN1; SMN2GAAKDM4E | |
| SCHEMBL27506102 | 0.71 | ALOX5 (0.46) | ALDH1A1MAPTLMNAGAAKDM4E | |
| SCHEMBL27491451 | 0.71 | KDM4E (0.50) | ALDH1A1CYP1A2MAPTSMN1; SMN2LMNA | |
| SCHEMBL27491111 | 0.70 | CYP2A6 (0.36) | ALDH1A1CYP2C19ADORA1CYP3A4CYP2C9 |
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-1204323-A | Use of tricyclic 1,4-dihydro-1,4-dioxo-1 H-naphthalene derivatives, resulting novel compounds and therapeutical use thereof | INNOTHERA LAB SA (FR) | 1999-01-06 | — | — | CN | disclosed |