Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 5/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | BTK | Q06187 | 1/20 | 0.54 |
| ▸ | NQO2 | P16083 | 3/20 | 0.50 |
| ▸ | JAK2 | O60674 | 2/20 | 0.49 |
| ▸ | JAK3 | P52333 | 1/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
| ▸ | PRF1 | P14222 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3781950 | 0.83 | IKBKB (1.00) | IKBKBKMT2AMEN1ALDH1A1GAA | |
| SCHEMBL9578379 | 0.77 | IKBKB (0.81) | IKBKBCYP3A4KMT2AMEN1ALDH1A1 | |
| SCHEMBL5047743 | 0.77 | IKBKB (0.74) | IKBKBCYP1A2CYP3A4CYP2C9BTK | |
| SCHEMBL3561581 | 0.76 | KCNH2 (0.62) | IKBKB | |
| SCHEMBL10713802 | 0.74 | KMT2A (0.84) | IKBKBCYP3A4KMT2AMEN1ALDH1A1 | |
| SCHEMBL3783976 | 0.73 | IKBKB (0.69) | IKBKBBTKKMT2AALDH1A1KDM4E | |
| SCHEMBL3510525 | 0.73 | IKBKB (1.00) | IKBKBCYP1A2CYP3A4CYP2C9BTK | |
| SCHEMBL14190034 | 0.71 | HSD17B1 (0.71) | CYP3A4CYP2C9NQO2HSD17B1HSD17B2 | |
| SCHEMBL29032715 | 0.71 | IKBKB (0.64) | IKBKBCYP3A4NQO2KMT2AMEN1 | |
| SCHEMBL3794862 | 0.71 | IKBKB (0.76) | IKBKBCYP3A4KMT2AMEN1ALDH1A1 |
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-2016128103-A1 | ELECTRONIC DEVICE CONTAINING CYCLIC LACTAMS | MERCK PATENT GMBH (DE) | 2016-08-18 | — | — | WO | disclosed |