Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 3/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | RORB | Q92753 | 1/20 | 0.30 |
| ▸ | P2RX1 | P51575 | 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 | |
|---|---|---|---|---|
| SCHEMBL14227199 | 0.88 | TSHR (0.38) | ALDH1A1TSHRTACR1P2RX1 | |
| SCHEMBL18538222 | 0.82 | TSHR (0.35) | AHRALDH1A1TSHR | |
| SCHEMBL18538219 | 0.81 | TAS2R14 (0.36) | NOTUMALDH1A1TSHRRAPGEF4 | |
| SCHEMBL14227187 | 0.78 | TSHR (0.41) | NOTUMALDH1A1TSHRADORA2AADORA1 | |
| SCHEMBL17667852 | 0.72 | LPL (0.38) | AHRNOTUMRAPGEF4 | |
| SCHEMBL14227193 | 0.72 | P2RX1 (0.33) | P2RX1 | |
| SCHEMBL10379650 | 0.70 | CES2 (0.39) | ALDH1A1TSHRTACR1P2RX1 | |
| SCHEMBL14227227 | 0.69 | CES2 (0.31) | — | |
| SCHEMBL2073992 | 0.69 | TSHR (0.38) | AHRTSHR | |
| SCHEMBL14227196 | 0.67 | CYP19A1 (0.33) | CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20170050163-A1 | COMPOUND LIBRARY PREPARATION PROCESS | ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) | 2017-02-23 | — | — | US | disclosed |
| US-20170050163-A1 | COMPOUND LIBRARY PREPARATION PROCESS | ECOLE SUPERIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) | 2017-02-23 | — | — | US | disclosed |