Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.33 |
| ▸ | ITGAL | P20701 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28217234 | 1.00 | CNR2 (0.36) | CNR2LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL28217678 | 0.97 | LMNA (0.38) | CNR2LMNAALDH1A1TDP2POLB | |
| SCHEMBL28217676 | 0.97 | LMNA (0.38) | CNR2LMNAALDH1A1TDP2POLB | |
| SCHEMBL28217243 | 0.91 | CNR2 (0.33) | CNR2LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL28217240 | 0.91 | CNR2 (0.33) | CNR2LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL28217235 | 0.86 | MEN1 (0.36) | LMNAMEN1KMT2AITGB2ICAM1 | |
| SCHEMBL28217232 | 0.86 | MEN1 (0.36) | LMNAMEN1KMT2AITGB2ICAM1 | |
| SCHEMBL28217215 | 0.82 | KCNQ2 (0.32) | ALDH1A1MAPTMEN1KMT2ATDP1 | |
| SCHEMBL28217217 | 0.82 | KCNQ2 (0.32) | ALDH1A1MAPTMEN1KMT2ATDP1 | |
| SCHEMBL28448212 | 0.74 | IDH1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108017559-B | Benzene ring derivative and application thereof in medicine | 四川海思科制药有限公司 | 2020-08-04 | — | — | CN | disclosed |
| CN-108017559-A | Phenyl ring derivative and its application in medicine | 四川海思科制药有限公司 | 2018-05-11 | — | — | CN | disclosed |