Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.47 |
| ▸ | NOS3 | P29474 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL8329748 | 0.83 | NOS2 (0.44) | NOS2NOS3ALDH1A1TDP1LMNA | |
| SCHEMBL11181156 | 0.79 | ACHE (0.44) | ALDH1A1HPGDTDP1MEN1KMT2A | |
| SCHEMBL11465233 | 0.79 | LMNA (0.41) | NOS2NOS3ALDH1A1HPGDTDP1 | |
| SCHEMBL22958184 | 0.76 | PTK2 (0.42) | ALDH1A1HPGDTDP1MEN1KMT2A | |
| SCHEMBL28426080 | 0.74 | NOS2 (0.52) | NOS2NOS3ALDH1A1TDP1LMNA | |
| SCHEMBL13964874 | 0.72 | MME (0.48) | ALDH1A1HPGDTDP1MEN1KMT2A | |
| SCHEMBL5629538 | 0.72 | RAB9A (0.65) | ALDH1A1HPGDKMT2ALMNACYP1A2 | |
| SCHEMBL30421156 | 0.72 | RAB9A (0.65) | ALDH1A1HPGDKMT2ALMNACYP1A2 | |
| SCHEMBL8328435 | 0.71 | NOS2 (0.46) | NOS2NOS3ALDH1A1HPGDLMNA | |
| SCHEMBL26880375 | 0.70 | SMN1; SMN2 (0.40) | ALDH1A1NPC1RAB9AKDM4EMAPT |
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-2841435-B1 | PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC (JP) | 2017-09-06 | — | — | EP | disclosed |