Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA3 | P07451 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8573180 | 0.88 | HTT (0.40) | TSHRALDH1A1HTTCYP1A2CYP2C19 | |
| SCHEMBL8578814 | 0.86 | KDM4E (0.40) | TSHRALDH1A1SMN1; SMN2MAPTCA1 | |
| SCHEMBL8575467 | 0.84 | MAPT (0.53) | TSHRALDH1A1HTTMAPTNPSR1 | |
| SCHEMBL8580028 | 0.83 | PDGFRB (0.39) | ALDH1A1SMN1; SMN2MAPTCA1CA2 | |
| SCHEMBL7768700 | 0.83 | CISD1 (0.47) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL8838478 | 0.82 | KDM4E (0.41) | ALDH1A1HTTSMN1; SMN2MAPTNPSR1 | |
| SCHEMBL8574397 | 0.82 | CA2 (0.40) | ALDH1A1SMN1; SMN2MAPTNPSR1CA12 | |
| SCHEMBL8573125 | 0.82 | KDM4E (0.38) | TSHRALDH1A1SMN1; SMN2MAPTCA1 | |
| SCHEMBL6922302 | 0.81 | MAPT (0.45) | HTTSMN1; SMN2MAPTNPSR1 | |
| SCHEMBL8838315 | 0.81 | ALDH1A1 (0.36) | TSHRALDH1A1HTTCYP1A2CYP2C19 |
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-5849796-A | Ortho-substituted benzoil acid derivatives | MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-12-15 | — | — | US | disclosed |