Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17560376 | 0.85 | CHRNB2 (0.40) | SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL22467693 | 0.79 | SIGMAR1 (0.46) | SIGMAR1USP2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL3801432 | 0.79 | SIGMAR1 (0.46) | SIGMAR1USP2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL29185925 | 0.78 | MCL1 (0.42) | — | |
| SCHEMBL11590269 | 0.78 | SIGMAR1 (0.53) | SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL8595770 | 0.78 | SLC6A2 (0.49) | SIGMAR1USP2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL8498078 | 0.77 | SIGMAR1 (0.44) | SIGMAR1USP2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL3451086 | 0.77 | SIGMAR1 (0.44) | SIGMAR1USP2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL4552600 | 0.75 | SIGMAR1 (0.43) | SIGMAR1USP2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL28214604 | 0.73 | SIGMAR1 (0.41) | SIGMAR1USP2ALDH1A1TSHRHSD17B10 |
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-109553641-A | Novel pincer metal complex and its application | 中国科学院上海有机化学研究所 | 2019-04-02 | — | — | CN | disclosed |