Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | MITF | O75030 | 1/20 | 0.52 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | CTRC | Q99895 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6861984 | 0.86 | MAPT (0.43) | NPC1RAB9ATLR9LMNASMN1; SMN2 | |
| SCHEMBL6866140 | 0.84 | MAPT (0.44) | NPC1RAB9ATLR9LMNASMN1; SMN2 | |
| SCHEMBL6871433 | 0.80 | PTGS2 (0.44) | NPC1RAB9ATLR9LMNASMN1; SMN2 | |
| SCHEMBL6862174 | 0.78 | MEN1 (0.50) | NPC1LMNASMN1; SMN2MAPTADORA2A | |
| SCHEMBL6870676 | 0.78 | MAPT (0.42) | NPC1RAB9ATLR9LMNASMN1; SMN2 | |
| SCHEMBL6866143 | 0.78 | MAPT (0.46) | NPC1RAB9ATLR9LMNASMN1; SMN2 | |
| SCHEMBL6866170 | 0.77 | TP53 (0.42) | NPC1RAB9ATLR9LMNASMN1; SMN2 | |
| SCHEMBL6866618 | 0.77 | MAPT (0.49) | NPC1RAB9ATLR9LMNASMN1; SMN2 | |
| SCHEMBL6868792 | 0.74 | MITF (0.44) | NPC1RAB9ATLR9LMNASMN1; SMN2 | |
| SCHEMBL6870956 | 0.72 | MET (0.50) | ALDH1A1MAPTHTTCCNCCDK8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1187814-B1 | 5-PHENYL-PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-08-18 | — | — | EP | disclosed |
| US-6756380-B1 | NEUROKININ 1 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE INC. | 2004-06-29 | — | — | US | disclosed |
| EP-1187814-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-03-20 | — | — | EP | disclosed |
| WO-2000073278-A2 | 5-PHENYL-PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-12-07 | — | — | WO | disclosed |