Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORB | Q92753 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 4/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4705422 | 0.88 | AKT1 (0.38) | RORBRAB9ASMN1; SMN2NTRK1AKT1 | |
| SCHEMBL4707869 | 0.87 | NTRK1 (0.39) | RORBRAB9ANTRK1AKT1PIK3CA | |
| SCHEMBL4705655 | 0.85 | AKT1 (0.39) | RORBRAB9ASMN1; SMN2NTRK1AKT1 | |
| SCHEMBL4759328 | 0.84 | RORB (0.43) | RORBSMN1; SMN2KDM4EHTTRORC | |
| SCHEMBL4708724 | 0.83 | MEN1 (0.34) | RORBMAPTTDP1L3MBTL1NTRK1 | |
| SCHEMBL4705642 | 0.82 | RORB (0.40) | RORBL3MBTL1AKT1RORC | |
| SCHEMBL4705167 | 0.82 | NTRK1 (0.34) | RORBRAB9ANTRK1AKT1PIK3CA | |
| SCHEMBL4707172 | 0.82 | RORB (0.46) | RORBRORCALDH1A1TSHR | |
| SCHEMBL4708031 | 0.82 | NTRK1 (0.34) | RORBRAB9ANTRK1AKT1PIK3CA | |
| SCHEMBL4707848 | 0.81 | RORB (0.41) | RORBRAB9ASMN1; SMN2RORCALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |