Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4573882 | 0.88 | SMN1; SMN2 (0.34) | TSHRALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL4574520 | 0.83 | SMN1; SMN2 (0.38) | ALDH1A1HPGDHSD17B10SMN1; SMN2NPC1 | |
| SCHEMBL4574395 | 0.76 | HCAR2 (0.35) | ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL5323237 | 0.74 | AKT1 (0.35) | TSHRALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL4575118 | 0.73 | HCRTR1 (0.30) | — | |
| SCHEMBL4597065 | 0.73 | HCRTR1 (0.33) | HPGDSMN1; SMN2LMNA | |
| SCHEMBL4595427 | 0.72 | LMNA (0.35) | TSHRALDH1A1HPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL4737833 | 0.68 | BRD4 (0.31) | — | |
| SCHEMBL4737642 | 0.67 | NPY5R (0.37) | TSHRALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL14068758 | 0.66 | — | — |
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-2008071766-A2 | SPIRO-INDENE SUBSTITUTED IMIDAZONAPHYTHYRIDINE AND PYRANOIMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF GASTRIC ACID SECRETION | NYCOMED GMBH (DE) | 2008-06-19 | — | — | WO | disclosed |