Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL8632340 | 0.83 | DGAT1 (0.35) | DGAT1MAPTHPGDHTTNPC1 | |
| SCHEMBL8632343 | 0.83 | DGAT1 (0.35) | DGAT1MAPTHPGDHTTNPC1 | |
| SCHEMBL8629071 | 0.82 | ALDH1A1 (0.42) | FLT1FLT4KDRMAPTHPGD | |
| SCHEMBL8650089 | 0.80 | HPGD (0.36) | MAPTHPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8650094 | 0.80 | HPGD (0.36) | MAPTHPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8631726 | 0.78 | ERN1 (0.35) | MAPTHTTALDH1A1 | |
| SCHEMBL8628729 | 0.76 | ERN1 (0.33) | HPGDHTTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL428805 | 0.73 | DGAT1 (0.60) | DGAT1FLT1FLT4KDRMAPT | |
| SCHEMBL8625856 | 0.72 | SLC6A4 (0.43) | MAPTHPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8631720 | 0.72 | ERN1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0705243-B1 | BETA-AMINOVINYL KETONES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR PREPARING BETA DIKETONES | RHONE POULENC AGROCHIMIE (FR) | 1998-06-24 | — | — | EP | disclosed |
| US-5684206-A | CONDENSING METHYL ORGANO KETONE WITH A BENZONITRILE IN PRESENCE OF STRONG BASE | RHONE-POULENC ARGOCHIMIE (FR) | 1997-11-04 | — | — | US | disclosed |