Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 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 | |
|---|---|---|---|---|
| SCHEMBL12549624 | 0.84 | TSHR (0.46) | TSHRKMT2ATRPA1IDO1MEN1 | |
| SCHEMBL14310474 | 0.84 | TSHR (0.46) | TSHRKMT2ATRPA1IDO1MEN1 | |
| SCHEMBL92279 | 0.84 | TSHR (0.46) | TSHRKMT2ATRPA1IDO1MEN1 | |
| SCHEMBL2304714 | 0.84 | TSHR (0.48) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL22890912 | 0.84 | TSHR (0.48) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL17525899 | 0.84 | TSHR (0.48) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL13641899 | 0.82 | TSHR (0.56) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL19157888 | 0.81 | TSHR (0.45) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL2309491 | 0.79 | TSHR (0.52) | TSHRCA1CA2CA7CA9 | |
| SCHEMBL28135462 | 0.79 | TSHR (0.52) | TSHRCA1CA2CA7CA9 |
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-2021226168-A1 | RING CLOSING SYNTHESIS OF MACROCYCLIC MCL-1 INHIBITOR INTERMEDIATES | AMGEN INC. (US) | 2021-11-11 | — | — | WO | disclosed |