Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | AGXT | P21549 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 5/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR1E | P28566 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7077564 | 0.80 | AGXT (0.47) | AGXTHTR6HRH4NPC1RAB9A | |
| SCHEMBL7077276 | 0.78 | LMNA (0.49) | ALDH1A1AGXTHTR6HRH4NPC1 | |
| SCHEMBL7582559 | 0.77 | NCF1 (0.57) | ALDH1A1HTR6HRH4NPC1RAB9A | |
| SCHEMBL6473253 | 0.75 | ALDH1A1 (0.65) | ALDH1A1NPC1RAB9AADRA2CSIRT6 | |
| SCHEMBL27997453 | 0.74 | AGXT (0.47) | AGXTHTR6HRH4NPC1RAB9A | |
| SCHEMBL6946070 | 0.74 | PLOD2 (0.46) | HTR6HRH4NPC1RAB9AHRH1 | |
| SCHEMBL3689290 | 0.71 | ALDH1A1 (0.55) | ALDH1A1HRH4NPC1RAB9AKIF11 | |
| SCHEMBL4577362 | 0.71 | AGXT (0.57) | ALDH1A1AGXTHTR6HTR2AHTR1A | |
| SCHEMBL7011745 | 0.71 | TSHR (0.46) | — | |
| SCHEMBL27470112 | 0.70 | NCF1 (0.47) | AGXTHRH4HRH1HTR3A |
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 |