Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 6/20 | 0.41 |
| ▸ | CES2 | O00748 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18992193 | 1.00 | TDP1 (0.43) | TDP1TSHRCYP3A4MAPTHSD17B10 | |
| SCHEMBL459783 | 0.84 | ATM (0.42) | TDP1TSHRCYP3A4MAPTHSD17B10 | |
| SCHEMBL459784 | 0.84 | ATM (0.42) | TDP1TSHRCYP3A4MAPTHSD17B10 | |
| SCHEMBL18992133 | 0.76 | ALDH1A1 (0.50) | TDP1TSHRMAPTALDH1A1KDM4E | |
| SCHEMBL20586088 | 0.76 | ALDH1A1 (0.50) | TDP1TSHRMAPTALDH1A1KDM4E | |
| SCHEMBL10111192 | 0.72 | MAPT (0.43) | TDP1CYP3A4MAPTCYP2C19CES1 | |
| SCHEMBL2744683 | 0.72 | MAPT (0.43) | TDP1CYP3A4MAPTCYP2C19CES1 | |
| SCHEMBL10754035 | 0.71 | CES1 (0.46) | TDP1TSHRCYP3A4MAPTHSD17B10 | |
| SCHEMBL11876067 | 0.71 | CES1 (0.46) | TDP1TSHRCYP3A4MAPTHSD17B10 | |
| SCHEMBL28334658 | 0.71 | ATM (0.37) | TSHRHSD17B10CES1CES2ALDH1A1 |
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-2017106427-A1 | METHODS FOR INDUCING BIOORTHOGONAL REACTIVITY | FOX JOSEPH (US) | 2017-06-22 | — | — | WO | disclosed |