Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.34 |
| ▸ | COMT | P21964 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22879444 | 0.73 | MAOA (0.37) | ALDH1A1NPC1RAB9A | |
| SCHEMBL21312010 | 0.71 | NPC1 (0.38) | TSHRHSD17B3ALDH1A1NPC1RAB9A | |
| SCHEMBL22879479 | 0.71 | TSHR (0.37) | TSHRALDH1A1NOTUMNPC1RAB9A | |
| SCHEMBL21311762 | 0.70 | HSD17B3 (0.49) | TSHRHSD17B3COMTALDH1A1NOTUM | |
| SCHEMBL21311804 | 0.67 | MEN1 (0.41) | ALDH1A1NOTUMRAB9ANPSR1 | |
| SCHEMBL22879572 | 0.65 | CES1 (0.39) | ALDH1A1NOTUMNPSR1 | |
| SCHEMBL12655447 | 0.62 | MAOA (0.58) | — | |
| SCHEMBL22992211 | 0.61 | HTT (0.33) | TSHRALDH1A1NOTUMNPSR1 | |
| SCHEMBL27697616 | 0.61 | NOTUM (0.38) | TSHRHSD17B3COMTALDH1A1NOTUM | |
| SCHEMBL21311803 | 0.60 | P2RX4 (0.36) | TSHRALDH1A1NPC1RAB9A |
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-2019161781-A1 | RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF | 北京泰德制药股份有限公司 | 2019-08-29 | — | — | WO | disclosed |