Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | HSPB1 | P04792 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | USP10 | Q14694 | 1/20 | 0.35 |
| ▸ | USP7 | Q93009 | 1/20 | 0.35 |
| ▸ | USP47 | Q96K76 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL57112 | 0.79 | TDP1 (1.00) | ATMTDP1ALDH1A1HSPB1TTR | |
| SCHEMBL29385912 | 0.79 | TDP1 (1.00) | ATMTDP1ALDH1A1HSPB1TTR | |
| Methyl Alcohol SCHEMBL29115301 | 0.79 | ATM (0.88) | ATMTDP1CES2CES1ALDH1A1 | |
| SCHEMBL31121788 | 0.77 | TDP1 (0.96) | ATMTDP1ALDH1A1HSPB1TTR | |
| SCHEMBL18934796 | 0.77 | TDP1 (0.38) | ATMTDP1ALDH1A1 | |
| SCHEMBL14548036 | 0.77 | ATM (0.41) | ATMTDP1CES2CES1ALDH1A1 | |
| SCHEMBL19058467 | 0.76 | CPS1 (0.45) | ATMTDP1ERN1NPC1RAB9A | |
| SCHEMBL16474073 | 0.73 | CES2 (0.41) | ATMTDP1CES2CES1ALDH1A1 | |
| SCHEMBL13676425 | 0.72 | CA1 (0.47) | ATMTDP1ALDH1A1CA9CA14 | |
| SCHEMBL19075116 | 0.71 | ERN1 (0.43) | TDP1ALDH1A1HSPB1HTTERN1 |
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-20150364311-A1 | COMPOSITIONS AND METHODS FOR MASS SPECTOMETRY | MSTM, LLC | 2015-12-17 | — | — | US | disclosed |