Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL669085 | 0.92 | CYP3A4 (0.58) | CYP3A4KMT2APOLBALDH1A1TSHR | |
| SCHEMBL7756816 | 0.86 | CYP3A4 (0.72) | CYP3A4KMT2AALDH1A1TSHRHSD17B10 | |
| SCHEMBL5095287 | 0.84 | ALDH1A1 (0.68) | CYP3A4KMT2APOLBALDH1A1TSHR | |
| SCHEMBL8787505 | 0.84 | ALDH1A1 (0.60) | CYP3A4KMT2APOLBALDH1A1TSHR | |
| SCHEMBL7688461 | 0.81 | KMT2A (0.65) | KMT2APOLBALDH1A1TSHRHSD17B10 | |
| SCHEMBL28299986 | 0.81 | KDM4E (0.56) | CYP3A4KMT2APOLBALDH1A1TSHR | |
| SCHEMBL8786903 | 0.81 | CYP3A4 (0.55) | CYP3A4KMT2APOLBALDH1A1TSHR | |
| SCHEMBL10139038 | 0.81 | CYP3A4 (0.55) | CYP3A4KMT2APOLBALDH1A1TSHR | |
| SCHEMBL5108230 | 0.80 | CYP3A4 (0.54) | CYP3A4KMT2APOLBALDH1A1TSHR | |
| SCHEMBL28065146 | 0.79 | KDM4E (0.54) | CYP3A4POLBALDH1A1KDM4ERAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004054952-A1 | PROCESS FOR THE PREPARATION OF 3-[2-(3,4-DIMETHOXYBENZOYL)-4,5- DIMETHOXYPHENYL] -PENTAN-2-ONE | EGIS GYOGYSZERGYAR RT. (HU) | 2004-07-01 | — | — | WO | disclosed |