Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.51 |
| ▸ | TMEM97 | Q5BJF2 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.44 |
| ▸ | PIK3R2 | O00459 | 5/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.44 |
| ▸ | PIK3CB | P42338 | 5/20 | 0.44 |
| ▸ | PIK3CG | P48736 | 5/20 | 0.44 |
| ▸ | PIK3R5 | Q8WYR1 | 5/20 | 0.44 |
| ▸ | PIK3R3 | Q92569 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | UGCG | Q16739 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21995870 | 0.82 | SIGMAR1 (0.52) | SIGMAR1TMEM97ALDH1A1TSHRPIK3CD | |
| SCHEMBL27381184 | 0.78 | SIGMAR1 (0.58) | SIGMAR1TMEM97ALDH1A1TSHRPIK3CD | |
| SCHEMBL8085636 | 0.77 | GRIA2 (0.68) | — | |
| SCHEMBL18209687 | 0.77 | TMEM97 (0.49) | SIGMAR1TMEM97ALDH1A1PIK3CDPIK3R2 | |
| SCHEMBL21995880 | 0.71 | KMT2A (0.39) | ALDH1A1TSHRKMT2ALMNAPOLB | |
| SCHEMBL22049303 | 0.68 | SIGMAR1 (0.73) | SIGMAR1TMEM97PIK3CDPIK3R2PIK3CA | |
| SCHEMBL22048884 | 0.67 | SIGMAR1 (1.00) | SIGMAR1TMEM97PIK3CDPIK3R2PIK3CA | |
| SCHEMBL22049298 | 0.67 | SIGMAR1 (1.00) | SIGMAR1TMEM97ALDH1A1TSHRPIK3CD | |
| SCHEMBL30936641 | 0.65 | CNR1 (0.69) | ALDH1A1TSHRPIK3CDPIK3R2PIK3CA | |
| SCHEMBL24999576 | 0.65 | SIGMAR1 (0.67) | SIGMAR1TMEM97ALDH1A1KDM4EKMT2A |
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-2020112846-A1 | SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF | NORTHWESTERN UNIVERSITY (US) | 2020-06-04 | — | — | WO | disclosed |