Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.56 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.49 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.49 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.49 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.49 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.49 |
| ▸ | HTR3B | O95264 | 1/20 | 0.49 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.49 |
| ▸ | CHRNG | P07510 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL23374544 | 0.86 | CYP11B2 (0.49) | CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL17779065 | 0.85 | CYP11B2 (0.57) | CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL18744076 | 0.83 | DRD2 (0.47) | ALDH1A1DRD2DRD1DRD4DRD5 | |
| SCHEMBL23374534 | 0.83 | DRD2 (0.65) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL23374714 | 0.83 | DRD2 (0.65) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL17774405 | 0.81 | CYP11B2 (0.53) | CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL25766541 | 0.81 | DRD2 (0.55) | CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL17518822 | 0.79 | CYP11B2 (0.60) | CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1 | |
| SCHEMBL28154382 | 0.77 | NAMPT (0.47) | CYP11B2CHRNA7ALDH1A1LMNATDP1 | |
| SCHEMBL26763857 | 0.77 | ALDH1A1 (0.61) | CHRNA7CHRNB2CHRNA4ALDH1A1CHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9624211-B2 | Anti-cancer compounds | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-04-18 | — | — | US | disclosed |