Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20047368 | 0.89 | NOS1 (0.50) | NOS1SMN1; SMN2GABRA5GABRB2HSD17B10 | |
| SCHEMBL23563293 | 0.80 | NOS1 (0.47) | NOS1SMN1; SMN2GABRA5GABRB2HSD17B10 | |
| SCHEMBL1189697 | 0.80 | — | — | |
| SCHEMBL23563975 | 0.78 | SMN1; SMN2 (0.53) | SMN1; SMN2RAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL5911714 | 0.78 | — | — | |
| SCHEMBL30191663 | 0.78 | HSD17B10 (0.51) | NOS1SMN1; SMN2GABRA5GABRB2HSD17B10 | |
| SCHEMBL19080597 | 0.77 | SMN1; SMN2 (0.55) | NOS1SMN1; SMN2GABRA5GABRB2HSD17B10 | |
| SCHEMBL307817 | 0.75 | — | — | |
| SCHEMBL2373929 | 0.74 | NOS1 (0.53) | NOS1SMN1; SMN2GABRA5GABRB2HSD17B10 | |
| SCHEMBL7186049 | 0.74 | SLC6A3 (0.42) | SMN1; SMN2RAB9ANPC1ALDH1A1MAPT |
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-2018067834-A1 | NT5C2 INHIBITORS USEFUL FOR THE TREATMENT OF CHEMOTHERAPY RESISTANT ACUTE LYMPHOBLASTIC LEUKEMIA | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-12 | — | — | WO | disclosed |