Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | MC4R | P32245 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | HTR1B | P28222 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15855870 | 0.81 | HPGD (0.52) | HPGDMAPT | |
| SCHEMBL2469546 | 0.77 | ALDH1A1 (0.86) | ALDH1A1USP2HPGDNPSR1MC4R | |
| SCHEMBL29675228 | 0.77 | ALDH1A1 (0.86) | ALDH1A1USP2HPGDNPSR1MC4R | |
| SCHEMBL5519086 | 0.74 | ALDH1A1 (0.66) | ALDH1A1USP2HPGDNPSR1MC4R | |
| SCHEMBL5519094 | 0.74 | ALDH1A1 (0.66) | ALDH1A1USP2HPGDNPSR1MC4R | |
| SCHEMBL18829414 | 0.74 | ALDH1A1 (1.00) | ALDH1A1USP2HPGDNPSR1MC4R | |
| SCHEMBL6244724 | 0.74 | ALDH1A1 (0.93) | ALDH1A1USP2HPGDNPSR1MC4R | |
| SCHEMBL526330 | 0.73 | ALDH1A1 (0.73) | ALDH1A1USP2HPGDNPSR1MC4R | |
| SCHEMBL4676974 | 0.73 | ALDH1A1 (0.73) | ALDH1A1USP2HPGDNPSR1MC4R | |
| SCHEMBL5521157 | 0.72 | ALDH1A1 (0.78) | ALDH1A1USP2HPGDNPSR1MC4R |
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-8772307-B2 | Substituted spiro compounds and their use for producing pain-relief medicaments | GRUENENTHAL GMBH (DE) | 2014-07-08 | — | — | US | disclosed |