Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.31 |
| ▸ | MGLL | Q99685 | 2/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.30 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.30 |
| ▸ | GNAI1 | P63096 | 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 | |
|---|---|---|---|---|
| SCHEMBL26646422 | 1.00 | ALDH1A1 (0.31) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL28458748 | 1.00 | ALDH1A1 (0.31) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL27719962 | 1.00 | ALDH1A1 (0.31) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL27837001 | 0.98 | ALDH1A1 (0.30) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL27836883 | 0.98 | ALDH1A1 (0.30) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| Bromide SCHEMBL29054548 | 0.98 | ALDH1A1 (0.33) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 | |
| SCHEMBL27670699 | 0.98 | — | — | |
| SCHEMBL27727161 | 0.97 | — | — | |
| SCHEMBL26646540 | 0.93 | GBA2 (0.33) | — | |
| SCHEMBL29045317 | 0.93 | PTGS1 (0.34) | ALDH1A1CYP1A2CYP2D6CYP2C19PTGS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107312115-B | Bis-indole rare earth metal catalyst, preparation method and application | 北京理工大学 | 2020-06-12 | — | — | CN | claimed |
| CN-107312115-B | Bis-indole rare earth metal catalyst, preparation method and application | 北京理工大学 | 2020-06-12 | — | — | CN | disclosed |