Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | TSPO | P30536 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3626830 | 0.90 | SIGMAR1 (0.67) | SIGMAR1GAAALDH1A1MAPTNPC1 | |
| SCHEMBL8585842 | 0.78 | HPRT1 (0.58) | SIGMAR1GAAALDH1A1MAPTHPGD | |
| SCHEMBL31016039 | 0.78 | HPRT1 (0.58) | SIGMAR1GAAALDH1A1MAPTHPGD | |
| Chrysene SCHEMBL28443586 | 0.78 | HPRT1 (0.70) | ALDH1A1MAPTHPGDHPRT1CYP2A6 | |
| SCHEMBL8026157 | 0.77 | GAA (0.55) | SIGMAR1GAAALDH1A1MAPTHPGD | |
| Chrysene SCHEMBL28689979 | 0.76 | HPRT1 (0.67) | ALDH1A1MAPTHPGDHPRT1KDM4E | |
| SCHEMBL29666490 | 0.75 | SIGMAR1 (0.67) | SIGMAR1GAATDP1 | |
| SCHEMBL1614544 | 0.75 | SIGMAR1 (0.67) | SIGMAR1GAATDP1 | |
| SCHEMBL8028298 | 0.74 | GAA (0.47) | SIGMAR1GAAALDH1A1MAPTHPGD | |
| SCHEMBL1839015 | 0.74 | SIGMAR1 (0.65) | SIGMAR1GAAKDM4ENCEH1 |
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-2019071104-A1 | COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF HYPERAMMONEMIA | CHILDREN'S NATIONAL MEDICAL CENTER (US) | 2019-04-11 | — | — | WO | disclosed |