Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.46 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.46 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.46 |
| ▸ | MCHR1 | Q99705 | 6/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL5811766 | 0.77 | RAB9A (0.62) | TSHRNPC1RAB9ATP53POLB | |
| SCHEMBL29738135 | 0.75 | POLB (0.56) | GRIA1CACNG8CACNG2MCHR1NPC1 | |
| SCHEMBL22507416 | 0.72 | MAPK1 (0.74) | TSHRGRIA1CACNG8CACNG2PIK3CD | |
| SCHEMBL16940824 | 0.72 | TP53 (0.50) | TSHRMCHR1PIK3CAMTORNPC1 | |
| SCHEMBL10819080 | 0.72 | RAB9A (0.61) | TSHRGRIA1CACNG8CACNG2MCHR1 | |
| SCHEMBL23043553 | 0.69 | RAB9A (0.49) | TSHRGRIA1CACNG8CACNG2MCHR1 | |
| SCHEMBL29738197 | 0.69 | GRIA1 (0.44) | TSHRGRIA1CACNG8CACNG2MCHR1 | |
| SCHEMBL5089620 | 0.68 | RAB9A (0.70) | TSHRNPC1RAB9ATP53GAA | |
| SCHEMBL12130054 | 0.67 | GRIA1 (0.74) | GRIA1CACNG8CACNG2SMN1; SMN2SCN9A | |
| SCHEMBL10543627 | 0.67 | NPC1 (0.60) | GRIA1CACNG8CACNG2MCHR1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021041536-A1 | BENZIMIDAZOLE AND HYDROGENATED CARBAZOLE DERIVATIVES AS GPX4 INHIBITORS | Ferro Therapeutics, Inc. (US) | 2021-03-04 | — | — | WO | disclosed |