Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CTSA | P10619 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | BRD2 | P25440 | 1/20 | 0.34 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.34 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.33 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7077538 | 1.00 | SMN1; SMN2 (0.35) | SMN1; SMN2NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL7078623 | 0.90 | KLKB1 (0.38) | CTSABRD4BRD2BRD3BRDT | |
| SCHEMBL7081880 | 0.89 | CTNNB1 (0.41) | SMN1; SMN2RAB9AALDH1A1MAPTMEN1 | |
| SCHEMBL7079075 | 0.84 | IDO1 (0.39) | ALDH1A1LMNAKDM5AKDM2BKDM4C | |
| SCHEMBL7081122 | 0.83 | CYP19A1 (0.39) | SMN1; SMN2NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL7077565 | 0.82 | CYP19A1 (0.43) | SMN1; SMN2NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL7083183 | 0.81 | KEAP1 (0.42) | SMN1; SMN2NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL7077274 | 0.81 | CTSA (0.34) | SMN1; SMN2NPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL7077255 | 0.80 | MC4R (0.41) | RAB9AALDH1A1MAPTACKR3FAAH | |
| SCHEMBL7078626 | 0.80 | KAT6A (0.39) | SMN1; SMN2NPC1RAB9AALDH1A1MAPT |
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-1196384-A4 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO INC (US) | 2002-10-23 | — | — | EP | disclosed |
| EP-1196384-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | Merck & Co., Inc. (US) | 2002-04-17 | — | — | EP | disclosed |
| WO-2001000578-A1 | 1-(AROMATIC- OR HETEROAROMATIC-SUBSTITUTED)-3-(HETEROAROMATIC SUBSTITUTED)-1,3-PROPANEDIONES AND USES THEREOF | MERCK & CO., INC. (US) | 2001-01-04 | — | — | WO | disclosed |