Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | KIF11 | P52732 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 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 | |
|---|---|---|---|---|
| SCHEMBL18020098 | 0.94 | CYP1A2 (0.61) | CYP1A2KIF11NPC1MEN1KMT2A | |
| SCHEMBL29890056 | 0.85 | AHR (0.64) | CYP1A2KIF11NPC1MEN1KMT2A | |
| SCHEMBL29519982 | 0.85 | AHR (0.64) | CYP1A2KIF11NPC1MEN1KMT2A | |
| SCHEMBL1635861 | 0.85 | AHR (0.64) | CYP1A2KIF11NPC1MEN1KMT2A | |
| SCHEMBL15785771 | 0.84 | MAPT (0.55) | CYP1A2NPC1MEN1KMT2AAHR | |
| SCHEMBL16925958 | 0.83 | NPC1 (0.52) | CYP1A2KIF11NPC1MEN1KMT2A | |
| SCHEMBL25883568 | 0.82 | KIF11 (0.45) | CYP1A2KIF11NPC1MEN1KMT2A | |
| SCHEMBL23615509 | 0.82 | MAOA (0.50) | CYP1A2MEN1KMT2APOLBAHR | |
| SCHEMBL8818417 | 0.82 | CYP1A2 (0.47) | CYP1A2NPC1MEN1KMT2AAHR | |
| SCHEMBL20040375 | 0.81 | KIF11 (0.54) | KIF11NPC1MEN1KMT2APOLB |
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 |