Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MDM4 | O15151 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CETP | P11597 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TOP1 | P11387 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27748175 | 0.87 | HDAC1 (0.52) | ADORA1ADORA3NPSR1TSHRHPGD | |
| SCHEMBL28796445 | 0.82 | BACE1 (0.42) | ADORA1ADORA3ADORA2ATSHRHPGD | |
| SCHEMBL28794193 | 0.81 | HDAC1 (0.41) | ADORA1ADORA3ADORA2ATSHRHPGD | |
| SCHEMBL27863059 | 0.79 | NPC1 (0.47) | ADORA1TP53MDM4L3MBTL1CETP | |
| SCHEMBL27850673 | 0.78 | CA12 (0.45) | ALDH1A1RAB9AKDM4E | |
| SCHEMBL27769325 | 0.74 | TDP1 (0.44) | ADORA1ADORA3ADORA2ATSHRHPGD | |
| SCHEMBL27769336 | 0.74 | TDP1 (0.44) | ADORA1ADORA3ADORA2ATSHRHPGD | |
| SCHEMBL27863065 | 0.73 | BACE1 (0.39) | ADORA1ADORA3ADORA2ATSHRHPGD | |
| SCHEMBL27879330 | 0.71 | BACE1 (0.36) | ADORA1ADORA3ADORA2ANPSR1TSHR | |
| SCHEMBL28781439 | 0.69 | CRHBP (0.53) | TSHRHPGDBACE1ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-102574778-A | Novel biphenyl and phenyl-pyridine amides | HOFFMANN LA ROCHE | 2012-07-11 | — | — | CN | disclosed |