Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10046635 | 0.91 | SIGMAR1 (0.45) | SIGMAR1CYP1A2CYP2A6ALDH1A1HPGD | |
| SCHEMBL18090517 | 0.89 | SIGMAR1 (0.38) | SIGMAR1CYP1A2CYP2A6ALDH1A1HPGD | |
| SCHEMBL13333675 | 0.89 | SIGMAR1 (0.40) | SIGMAR1CYP1A2CYP2A6ALDH1A1HPGD | |
| SCHEMBL17636107 | 0.88 | SIGMAR1 (0.45) | SIGMAR1CYP1A2CYP2A6ALDH1A1DHFR | |
| SCHEMBL17952143 | 0.87 | SIGMAR1 (0.48) | SIGMAR1CYP1A2CYP2A6ALDH1A1HPGD | |
| SCHEMBL12249727 | 0.86 | SIGMAR1 (0.41) | SIGMAR1CYP1A2CYP2A6ALDH1A1HPGD | |
| SCHEMBL12856529 | 0.86 | CYP1A2 (0.40) | SIGMAR1CYP1A2CYP2A6ALDH1A1HPGD | |
| SCHEMBL9617133 | 0.86 | SIGMAR1 (0.47) | SIGMAR1CYP1A2CYP2A6ALDH1A1HPGD | |
| SCHEMBL5385549 | 0.86 | SIGMAR1 (0.43) | SIGMAR1CYP1A2CYP2A6ALDH1A1HPGD | |
| SCHEMBL18069065 | 0.85 | SIGMAR1 (0.40) | SIGMAR1CYP1A2CYP2A6ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009096702-A9 | NOVEL ORGANIC DYE AND METHOD FOR PREPARING SAME | 주식회사 동진쎄미켐 (KR) | 2009-10-29 | — | — | WO | disclosed |