Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 8/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CCR3 | P51677 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 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 | |
|---|---|---|---|---|
| SCHEMBL8630195 | 1.00 | SLC6A9 (0.38) | SLC6A9CCR2KDM4EALDH1A1HPGD | |
| SCHEMBL8629066 | 0.81 | ADRA1D (0.34) | KDM4EALDH1A1HPGDGAATDP1 | |
| SCHEMBL2325301 | 0.77 | KDM4E (0.47) | SLC6A9KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8886678 | 0.76 | GAA (0.40) | SLC6A9CCR2KDM4EALDH1A1HPGD | |
| SCHEMBL29391001 | 0.75 | SLC6A9 (0.41) | SLC6A9CCR2KDM4EALDH1A1HPGD | |
| SCHEMBL6751338 | 0.75 | SLC6A9 (0.41) | SLC6A9CCR2KDM4EALDH1A1HPGD | |
| SCHEMBL28017759 | 0.74 | SLC6A9 (0.39) | SLC6A9CCR2KDM4EALDH1A1HPGD | |
| SCHEMBL28095379 | 0.74 | CES2 (0.49) | SLC6A9KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8492736 | 0.74 | PTGDR2 (0.36) | SLC6A9CCR2GAAUSP2 | |
| SCHEMBL8763685 | 0.74 | PTGDR2 (0.36) | SLC6A9CCR2GAAUSP2 |
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-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 |
| EP-0705243-A1 | BETA-AMINOVINYL KETONES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR PREPARING BETA DIKETONES | RHONE-POULENC AGROCHIMIE (FR) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000476-A1 | BETA-AMINOVINYL KETONES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR PREPARING BETA DIKETONES | RHONE POULENC AGROCHIMIE (FR) | 1995-01-05 | — | — | WO | disclosed |