Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.43 |
| ▸ | MTOR | P42345 | 2/20 | 0.43 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL7709059 | 0.88 | SMN1; SMN2 (0.45) | HTTHSD17B10TSHRMAPTGAA | |
| SCHEMBL7705992 | 0.87 | HPGD (0.45) | HTTHSD17B10TSHRMAPK1MAPT | |
| SCHEMBL7427937 | 0.83 | ADORA2A (0.56) | HTTNPSR1MAPK1ALDH1A1KMT2A | |
| SCHEMBL7423524 | 0.75 | ALDH1A1 (0.53) | HTTMAPTGAAHPGDALDH1A1 | |
| SCHEMBL7434291 | 0.73 | ALDH1A1 (0.57) | HTTMAPTGAAHPGDALDH1A1 | |
| SCHEMBL7705975 | 0.72 | GBA1 (0.48) | GAAKMT2AKDM4EMEN1 | |
| SCHEMBL7480538 | 0.72 | ADORA2A (0.65) | ALDH1A1ADORA2AADORA1 | |
| SCHEMBL7711835 | 0.71 | ADORA2A (0.64) | TSHRMAPK1MAPTKMT2AKDM4E | |
| SCHEMBL7430368 | 0.71 | ADORA2A (0.66) | ALDH1A1ADORA2AADORA1 | |
| SCHEMBL6870681 | 0.70 | ADORA2A (0.49) | HTTNPSR1MAPTGAAHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214322-A2 | AMINO-TRIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-19 | — | — | EP | disclosed |
| US-6355653-B1 | DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS | HOFFMANN-LA ROCHE INC. | 2002-03-12 | — | — | US | disclosed |
| WO-2001017999-A2 | AMINO-TRIAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-03-15 | — | — | WO | disclosed |