Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HEXA | P06865 | 2/20 | 0.44 |
| ▸ | HEXB | P07686 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2538210 | 0.93 | GAA (0.65) | GAARECQLALDH1A1CYP1A2TDP1 | |
| SCHEMBL24507059 | 0.91 | GAA (0.71) | GAARECQLALDH1A1CYP1A2TDP1 | |
| SCHEMBL2566077 | 0.85 | GAA (0.69) | GAARECQLALDH1A1CYP1A2TDP1 | |
| SCHEMBL6570943 | 0.85 | GAA (0.74) | GAARECQLALDH1A1CYP1A2TDP1 | |
| Hydrochloric Acid SCHEMBL29556018 | 0.84 | GAA (0.67) | GAARECQLALDH1A1CYP1A2TDP1 | |
| Hydrochloric Acid SCHEMBL5418885 | 0.84 | GAA (0.67) | GAARECQLALDH1A1CYP1A2TDP1 | |
| SCHEMBL12244739 | 0.83 | GAA (0.61) | GAARECQLALDH1A1CYP1A2TDP1 | |
| SCHEMBL15377348 | 0.83 | TDP1 (0.67) | GAARECQLALDH1A1CYP1A2TDP1 | |
| SCHEMBL20547085 | 0.83 | GAA (0.61) | GAARECQLALDH1A1CYP1A2TDP1 | |
| SCHEMBL14091468 | 0.83 | ALDH1A1 (0.66) | GAARECQLALDH1A1CYP1A2TDP1 |
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-20150330992-A1 | RAPID DISCOVERY AND SCREENING OF ENZYME ACTIVITY USING MASS SPECTROMETRY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-11-19 | — | — | US | disclosed |