Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL27741003 | 0.95 | CA12 (0.45) | AHRMTNR1AMTNR1BCA12CA1 | |
| SCHEMBL31253989 | 0.86 | TUBB1 (0.41) | MTNR1AMTNR1BCA12CA1CA2 | |
| SCHEMBL27741005 | 0.85 | APP (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12667544 | 0.84 | CA12 (0.42) | MTNR1AMTNR1BCA12CA1CA2 | |
| SCHEMBL174636 | 0.82 | TUBB4A (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18784001 | 0.81 | CA12 (0.63) | AHRMTNR1AMTNR1BCA12CA1 | |
| SCHEMBL12667225 | 0.81 | NR1I2 (0.44) | SMN1; SMN2LMNAMAPTL3MBTL1ALDH1A1 | |
| SCHEMBL152605 | 0.80 | CA12 (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27720039 | 0.79 | CYP1A2 (0.41) | SMN1; SMN2HTTMAPTATMCYP1A2 | |
| SCHEMBL27810349 | 0.79 | AHR (0.45) | AHRMTNR1AMTNR1BCA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102807480-A | CTV (Cyclotriveratrylene)-I3 derivative and preparation method thereof | CHINESE ACAD INST CHEMISTRY | 2012-12-05 | — | — | CN | disclosed |
| CN-101296897-A | PPAR-modulating biaromatic compounds | GALDERMA RES & DEV (FR) | 2008-10-29 | — | — | CN | disclosed |
| CN-101103012-A | Compounds modulating PPAR gamma type receptors and their use in cosmetic or pharmaceutical compositions | GALDERMA RES & DEV (FR) | 2008-01-09 | — | — | CN | disclosed |