Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Glycine SCHEMBL3882403 | 0.83 | AOC3 (0.48) | AOC3AKR1B1NPC1RAB9ACA12 | |
| SCHEMBL27718040 | 0.80 | AOC3 (0.54) | AOC3NPC1RAB9ACA12CA9 | |
| SCHEMBL212272 | 0.80 | AKR1B1 (0.52) | AKR1B1NPC1RAB9ACA12CA9 | |
| SCHEMBL833414 | 0.79 | AOC3 (0.64) | AOC3CA2ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL1794281 | 0.79 | AOC3 (0.64) | AOC3CA2ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL186172 | 0.78 | MEP1B (0.50) | AKR1B1NPC1RAB9ACA12CA9 | |
| Hydrochloric Acid SCHEMBL11779718 | 0.77 | AOC3 (0.61) | AOC3LMNACA2ALDH1A1TSHR | |
| SCHEMBL7301929 | 0.77 | LMNA (0.55) | AKR1B1NPC1RAB9ACA12CA9 | |
| SCHEMBL9476651 | 0.77 | AKR1B1 (0.48) | AKR1B1NPC1RAB9ACA12CA9 | |
| Ammonia Solution, Strong SCHEMBL27504556 | 0.77 | MEP1B (0.49) | AKR1B1NPC1RAB9ACA12CA9 |
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-0899270-B1 | Indolylmethyl-N,N'-bisacylpiperazines as neurokinine receptor antagonists | SOLVAY PHARM GMBH (DE) | 2008-05-21 | — | — | EP | disclosed |