Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PYCR1 | P32322 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22340503 | 0.87 | TSHR (0.67) | TSHRCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL24152350 | 0.78 | CYP2D6 (0.51) | TSHRCYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL31039475 | 0.78 | TAAR1 (0.55) | TSHRCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL20565292 | 0.78 | TAAR1 (0.55) | TSHRCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL29336509 | 0.78 | PYCR1 (0.56) | TSHRCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL29336098 | 0.75 | PYCR1 (0.60) | CYP1A2CYP2D6CYP2C19PYCR1TAAR1 | |
| SCHEMBL4049148 | 0.75 | TSHR (0.81) | TSHRCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL8483664 | 0.74 | TSHR (0.67) | TSHRCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL18137938 | 0.74 | PYCR1 (0.59) | TSHRCYP1A2CYP2D6NFKB1CYP2C19 | |
| SCHEMBL20871196 | 0.74 | BCHE (0.46) | TSHRCYP1A2CYP2D6CYP2C19HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3707132-B1 | NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES | UNIV PARIS SACLAY (FR) | 2024-07-17 | — | — | EP | disclosed |