Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 8/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | F3 | P13726 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28144159 | 0.78 | KIF11 (0.36) | KIF11BACE1PIM1PIM2HSD17B10 | |
| SCHEMBL15881490 | 0.74 | PIM1 (0.36) | KIF11BACE1PIM1PIM2HSD17B10 | |
| SCHEMBL10901779 | 0.70 | KIF11 (0.49) | KIF11PIM1EPHX2MAPTALDH1A1 | |
| SCHEMBL12320899 | 0.69 | BACE1 (0.48) | KIF11BACE1PIM1PIM2HSD17B10 | |
| SCHEMBL12473661 | 0.69 | BACE1 (0.48) | KIF11BACE1PIM1PIM2HSD17B10 | |
| SCHEMBL12310186 | 0.69 | BACE1 (0.48) | KIF11BACE1PIM1PIM2HSD17B10 | |
| SCHEMBL10898355 | 0.67 | HTR2C (0.49) | — | |
| SCHEMBL7588186 | 0.67 | BACE1 (0.56) | KIF11BACE1PIM1PIM2EPHX2 | |
| SCHEMBL12317664 | 0.67 | BACE1 (0.47) | KIF11BACE1PIM1PIM2HSD17B10 | |
| SCHEMBL30451212 | 0.66 | BACE1 (0.46) | BACE1PIM1PIM2EPHX2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2582692-A1 | CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 | Janssen Pharmaceutica, N.V. (BE) | 2013-04-24 | — | — | EP | disclosed |
| WO-2011159854-A1 | CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA NV (BE) | 2011-12-22 | — | — | WO | disclosed |