Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 4/20 | 0.58 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.54 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL13338045 | 0.83 | KCNMA1 (0.50) | NT5EKCNMA1FGFR1SMN1; SMN2KDM4E | |
| SCHEMBL503004 | 0.81 | KCNMA1 (0.59) | KCNMA1FGFR1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL18494383 | 0.81 | KCNMA1 (0.51) | NT5EKCNMA1FGFR1SMN1; SMN2KDM4E | |
| SCHEMBL28099573 | 0.80 | IDO1 (0.55) | NT5EKCNMA1FGFR1SMN1; SMN2KDM4E | |
| SCHEMBL241393 | 0.80 | IDO1 (0.54) | KCNMA1SMN1; SMN2KDM4ENPC1L3MBTL1 | |
| SCHEMBL2627246 | 0.80 | KDM4E (0.64) | KCNMA1SMN1; SMN2KDM4ENPC1L3MBTL1 | |
| SCHEMBL12204569 | 0.80 | RAB9A (0.56) | KCNMA1SMN1; SMN2KDM4ENPC1L3MBTL1 | |
| SCHEMBL165333 | 0.80 | SMN1; SMN2 (0.71) | KCNMA1SMN1; SMN2KDM4ENPC1L3MBTL1 | |
| SCHEMBL13191549 | 0.80 | KCNMA1 (0.54) | NT5EKCNMA1SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL12204565 | 0.78 | SMN1; SMN2 (0.62) | KCNMA1SMN1; SMN2KDM4ENPC1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015042363-A1 | MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2015-03-26 | — | — | WO | disclosed |
| CN-101426786-A | Benzazole potentiators of metabotropic glutamate receptors | MERCK & CO INC (US) | 2009-05-06 | — | — | CN | disclosed |