Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28263243 | 0.77 | SIGMAR1 (0.38) | SIGMAR1FUCA1ALDH1A1ACHETDP1 | |
| SCHEMBL28145547 | 0.70 | SIGMAR1 (0.42) | SIGMAR1ALDH1A1ACHETDP1CCR3 | |
| SCHEMBL12821980 | 0.69 | ALDH1A1 (0.37) | SIGMAR1FUCA1ALDH1A1TDP1CYP2D6 | |
| SCHEMBL12620778 | 0.66 | SIGMAR1 (0.59) | SIGMAR1FUCA1ALDH1A1ACHECYP2D6 | |
| SCHEMBL11413096 | 0.65 | FUCA1 (0.60) | SIGMAR1FUCA1ALDH1A1ACHECYP2D6 | |
| SCHEMBL6202941 | 0.65 | FUCA1 (0.60) | SIGMAR1FUCA1ALDH1A1ACHECYP2D6 | |
| SCHEMBL6972698 | 0.65 | ACHE (0.59) | SIGMAR1ALDH1A1ACHECYP2D6CYP1A2 | |
| SCHEMBL15720386 | 0.65 | FUCA1 (0.55) | SIGMAR1FUCA1ALDH1A1ACHECYP2D6 | |
| SCHEMBL20417932 | 0.65 | FUCA1 (0.55) | SIGMAR1FUCA1ALDH1A1ACHECYP2D6 | |
| SCHEMBL22001636 | 0.65 | FUCA1 (0.55) | SIGMAR1FUCA1ALDH1A1ACHECYP2D6 |
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-104402879-B | Octahydro-1H-pyrrolo[2, 3-c]pyridine derivative, octahydro-1H-pyrrolo[3, 2-c]pyridine derivative and preparation methods thereof | 丽水绿氟科技有限公司 | 2017-05-10 | — | — | CN | disclosed |