Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17343151 | 0.88 | MAPT (0.46) | CYP2A6NPC1RAB9ACYP1A2KDM4E | |
| SCHEMBL11976466 | 0.87 | CYP2A6 (0.49) | CYP2A6NPC1RAB9ACYP1A2KDM4E | |
| SCHEMBL14483988 | 0.87 | CYP2A6 (0.43) | CYP2A6RAB9ACYP1A2KDM4EALDH1A1 | |
| SCHEMBL27551412 | 0.84 | CYP2A6 (0.46) | CYP2A6NPC1RAB9ACYP1A2KDM4E | |
| SCHEMBL15683379 | 0.84 | NPY5R (0.46) | CYP2A6NPC1RAB9ACYP1A2KDM4E | |
| SCHEMBL15668159 | 0.84 | CYP2A6 (0.46) | CYP2A6NPC1RAB9ACYP1A2KDM4E | |
| SCHEMBL12319848 | 0.83 | KDM4E (0.49) | CYP2A6NPC1RAB9ACYP1A2KDM4E | |
| SCHEMBL3648742 | 0.83 | CYP2A6 (0.55) | CYP2A6NPC1RAB9ACYP1A2KDM4E | |
| SCHEMBL7007771 | 0.82 | SCN9A (0.46) | CYP2A6CYP1A2CYP3A4MAPK1CYP2C19 | |
| SCHEMBL12762391 | 0.82 | S100A4 (0.47) | CYP2A6NPC1RAB9ACYP1A2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-2802594-B1 | METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES | UDC IRELAND LTD (IE) | 2017-04-19 | — | — | EP | disclosed |