Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TNKS | O95271 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | IDO2 | Q6ZQW0 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3962968 | 0.91 | IDO1 (0.42) | KDM4EIDO1TDO2IDO2MAPT | |
| SCHEMBL3962208 | 0.83 | HTR2A (0.47) | KDM4ENPC1RAB9ASMN1; SMN2TNKS | |
| SCHEMBL3961778 | 0.82 | IDO1 (0.44) | KDM4ENPC1RAB9AIDO1TDO2 | |
| SCHEMBL3964608 | 0.81 | KDM4E (0.39) | KDM4ENPC1RAB9ASMN1; SMN2TNKS | |
| SCHEMBL13881617 | 0.81 | KDM4E (0.46) | KDM4ENPC1RAB9ASMN1; SMN2TNKS | |
| SCHEMBL4146761 | 0.80 | KDM4E (0.48) | KDM4ENPC1RAB9ASMN1; SMN2TNKS | |
| SCHEMBL3961796 | 0.78 | RXFP1 (0.48) | KDM4EALDH1A1 | |
| SCHEMBL3964828 | 0.76 | KCNH2 (0.43) | KDM4EIDO1TDO2IDO2MAPT | |
| SCHEMBL3969490 | 0.75 | KCNH2 (0.41) | KDM4EMAPTALDH1A1 | |
| SCHEMBL3963734 | 0.74 | DRD2 (0.45) | KDM4EIDO1TDO2IDO2TP53 |
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-2009041904-A1 | QUINOLINE COMPOUNDS HAVING AN ACTIVITY AGAINST THE GABAB RECEPTOR | ASTRAZENECA AB (SE) | 2009-04-02 | — | — | WO | disclosed |