Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8577587 | 0.84 | CISD1 (0.45) | ALDH1A1TSHRMEN1KMT2ACA12 | |
| SCHEMBL8582889 | 0.82 | KDM4E (0.35) | MAPTALDH1A1TSHRKDM4EKMT2A | |
| SCHEMBL8575467 | 0.82 | MAPT (0.53) | HTTMAPTNPSR1ALDH1A1TSHR | |
| SCHEMBL8576394 | 0.81 | VCAM1 (0.34) | MAPTALDH1A1KDM4EKMT2AHSD17B10 | |
| SCHEMBL6922302 | 0.79 | MAPT (0.45) | HTTMAPTNPSR1KDM4EHSD17B10 | |
| SCHEMBL8574362 | 0.78 | GAA (0.56) | HTTMAPTNPSR1ALDH1A1KDM4E | |
| SCHEMBL8573433 | 0.78 | ABL1 (0.51) | MAPTNPSR1ALDH1A1TSHRKDM4E | |
| SCHEMBL8699634 | 0.78 | SLC9A1 (0.46) | MAPTNPSR1TSHRKDM4EKMT2A | |
| SCHEMBL8573180 | 0.77 | HTT (0.40) | HTTMAPTNPSR1ALDH1A1TSHR | |
| SCHEMBL8573173 | 0.77 | TSHR (0.44) | HTTMAPTNPSR1ALDH1A1TSHR |
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 |