Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL27492511 | 0.81 | CYP2C19 (0.39) | CYP1A2CYP2C19ALDH1A1KDM4ENPC1 | |
| SCHEMBL27556398 | 0.78 | ADORA2A (0.36) | ALDH1A1KDM4ENPC1RAB9AATM | |
| SCHEMBL25028024 | 0.76 | ALDH1A1 (0.43) | CYP1A2CYP2C19ALDH1A1KDM4ENPC1 | |
| SCHEMBL27563372 | 0.75 | KDM4E (0.34) | ALDH1A1KDM4ENPC1RAB9AATM | |
| SCHEMBL27508121 | 0.75 | RAB9A (0.35) | ALDH1A1KDM4ENPC1RAB9AATM | |
| SCHEMBL27490376 | 0.75 | MMP2 (0.40) | ALDH1A1KDM4ENPC1RAB9AATM | |
| SCHEMBL27506486 | 0.71 | KDM4E (0.30) | KDM4ENPC1RAB9AATM | |
| SCHEMBL27490375 | 0.70 | ALDH1A1 (0.39) | ALDH1A1KDM4ENPC1RAB9ATSHR | |
| SCHEMBL27490377 | 0.69 | — | — | |
| SCHEMBL27531535 | 0.67 | ALDH1A1 (0.42) | ALDH1A1KDM4ENPC1RAB9A |
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 |