Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL1053969 | 0.82 | TSHR (0.55) | TSHRADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL20862729 | 0.81 | LMNA (0.46) | TSHRADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL23621891 | 0.80 | ESR1 (0.52) | TSHRADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL196657 | 0.80 | TSHR (0.50) | TSHRADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL7331227 | 0.80 | ESR1 (0.52) | TSHRADRA2AADRA2BADRA2CADRA1A | |
| SCHEMBL15694230 | 0.79 | S1PR1 (0.41) | TSHRADRA2AADRA2BADRA2CCYP1A2 | |
| Hydrochloric Acid SCHEMBL28185848 | 0.78 | ADRA2A (0.50) | TSHRADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL629239 | 0.77 | TRPA1 (0.46) | TSHRADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL13263921 | 0.76 | TRPA1 (0.46) | TSHRADRA2AADRA2BADRA2CCYP1A2 | |
| SCHEMBL7751159 | 0.76 | CYP1A2 (0.48) | TSHRADRA2AADRA2BADRA2CCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017132173-A1 | MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE | REGENERON PHARMACEUTICALS, INC. (US) | 2017-08-03 | — | — | WO | disclosed |