Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12622275 | 0.98 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP2C9NPSR1NPC1 | |
| SCHEMBL12622360 | 0.93 | GRIA4 (0.44) | ALDH1A1TSHRCYP2C9NPSR1NPC1 | |
| SCHEMBL15887539 | 0.93 | L3MBTL1 (0.47) | ALDH1A1TSHRHPGDGRIA4MAPT | |
| SCHEMBL15887535 | 0.93 | L3MBTL1 (0.47) | ALDH1A1TSHRHPGDGRIA4MAPT | |
| SCHEMBL13053047 | 0.90 | L3MBTL1 (0.48) | ALDH1A1TSHRNPC1RAB9AHPGD | |
| SCHEMBL12621114 | 0.90 | GRIA4 (0.41) | ALDH1A1TSHRCYP2C9NPSR1NPC1 | |
| SCHEMBL12402555 | 0.89 | DHODH (0.47) | ALDH1A1TSHRCYP2C9NPSR1NPC1 | |
| SCHEMBL15887536 | 0.88 | NPC1 (0.49) | ALDH1A1TSHRNPSR1NPC1TP53 | |
| SCHEMBL9339775 | 0.87 | ALDH1A1 (0.47) | ALDH1A1TSHRCYP2C9NPSR1GAA | |
| SCHEMBL9340481 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TSHRCYP2C9NPSR1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110108770-A1 | COMPOSITION COMPRISING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-05-12 | — | — | US | disclosed |
| US-20110108770-A1 | COMPOSITION COMPRISING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-05-12 | — | — | US | disclosed |