Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 4/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16953722 | 0.74 | ESR2 (0.35) | ESR2POLBESR1CYP3A4CYP2C9 | |
| SCHEMBL21268227 | 0.73 | ESR2 (0.43) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL16952341 | 0.73 | ESR2 (0.34) | ESR2POLBESR1CYP3A4CYP2C9 | |
| SCHEMBL193944 | 0.73 | ESR2 (0.38) | ESR2POLBESR1CYP3A4CYP2C9 | |
| SCHEMBL456743 | 0.73 | ESR2 (0.34) | ESR2POLBESR1CYP3A4CYP2C9 | |
| SCHEMBL15352986 | 0.73 | ESR2 (0.34) | ESR2POLBESR1CYP3A4CYP2C9 | |
| SCHEMBL15352291 | 0.70 | HTR2C (0.40) | ESR2POLB | |
| SCHEMBL21268306 | 0.68 | ESR2 (0.31) | ESR2 | |
| SCHEMBL21268420 | 0.68 | ESR2 (0.40) | ESR2ESR1CYP3A4CYP2C9 | |
| SCHEMBL15352612 | 0.68 | ESR2 (0.34) | ESR2 |
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-104870422-A | Novel amine derivative or salt thereof | TOYAMA CHEMICAL CO LTD | 2015-08-26 | — | — | CN | disclosed |
| CN-101801931-B | Azabiphenylaminobenzoic acid derivatives as dhodh inhibitors | ALMIRALL SA | 2014-05-14 | — | — | CN | disclosed |
| CN-101801931-A | Azabiphenylaminobenzoic acid derivatives as dhodh inhibitors | ALMIRALL LAB | 2010-08-11 | — | — | CN | disclosed |