Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTO1 | P78417 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.37 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.37 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL8572740 | 0.91 | GSTO1 (0.42) | GSTO1ALDH1A1TSHRCA2CA1 | |
| SCHEMBL8572711 | 0.86 | CA2 (0.50) | CA2CA1CA5ACA9CA12 | |
| SCHEMBL8576755 | 0.86 | TSHR (0.36) | ALDH1A1TSHRKCNJ6KCNJ5KCNJ3 | |
| SCHEMBL8574456 | 0.85 | GSTO1 (0.40) | GSTO1ALDH1A1TSHRCA2CA1 | |
| SCHEMBL8576928 | 0.85 | MCL1 (0.45) | GSTO1ALDH1A1TSHRCA2CA1 | |
| SCHEMBL8572895 | 0.79 | LMNA (0.45) | GSTO1ALDH1A1TSHRCA2CA1 | |
| SCHEMBL8571451 | 0.79 | KCNH2 (0.37) | ALDH1A1TSHRKCNJ6KCNJ5KCNJ3 | |
| SCHEMBL8581598 | 0.78 | CA2 (0.39) | ALDH1A1CA2CA1CA5ACA9 | |
| SCHEMBL8575419 | 0.78 | MAPT (0.47) | GSTO1ALDH1A1TSHRCA2CA1 | |
| SCHEMBL8582780 | 0.77 | CA2 (0.48) | ALDH1A1CA2CA1CA5ACA9 |
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 |