Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 5/20 | 0.52 |
| ▸ | CES2 | O00748 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | DAO | P14920 | 1/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18687120 | 0.97 | TDP1 (0.57) | TDP1TSHRCYP3A4MAPTHSD17B10 | |
| SCHEMBL21812133 | 0.79 | NPC1 (0.46) | TDP1TSHRCYP3A4MAPTHSD17B10 | |
| SCHEMBL272138 | 0.78 | TDP1 (0.55) | TDP1TSHRCYP3A4MAPTHSD17B10 | |
| SCHEMBL1632835 | 0.78 | TDP1 (0.55) | TDP1TSHRCYP3A4MAPTHSD17B10 | |
| Benzamide SCHEMBL1332331 | 0.71 | — | — | |
| Benzamide SCHEMBL6690447 | 0.71 | PARP1 (1.00) | TDP1TSHRCYP3A4MAPTHSD17B10 | |
| SCHEMBL75059 | 0.71 | — | — | |
| SCHEMBL21755166 | 0.71 | PARP1 (1.00) | TDP1TSHRCYP3A4MAPTHSD17B10 | |
| Benzamide SCHEMBL1222101 | 0.71 | PARP1 (1.00) | TDP1TSHRCYP3A4MAPTHSD17B10 | |
| SCHEMBL736 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117917236-A | Storage-stable self-adhesive composite cements with good transparency and good radiopacity | 义获嘉伟瓦登特公司 | 2024-04-23 | — | — | CN | disclosed |