Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL24568193 | 1.00 | TSHR (0.32) | TSHRESR1POLBESR2CTDSP1 | |
| SCHEMBL24597251 | 0.82 | ESR1 (0.30) | ESR1POLBESR2CTDSP1TDP1 | |
| SCHEMBL21277082 | 0.80 | ALDH1A1 (0.33) | TSHRESR1POLBESR2CTDSP1 | |
| SCHEMBL12807367 | 0.76 | — | — | |
| SCHEMBL12807284 | 0.75 | EPHX1 (0.35) | — | |
| SCHEMBL2565699 | 0.73 | LMNA (0.42) | ESR1POLBESR2CTDSP1TDP1 | |
| SCHEMBL9786461 | 0.73 | LMNA (0.42) | ESR1POLBESR2CTDSP1TDP1 | |
| SCHEMBL2172419 | 0.72 | TSHR (0.48) | TSHRESR1POLBESR2CTDSP1 | |
| SCHEMBL24568181 | 0.70 | — | — | |
| SCHEMBL26704120 | 0.70 | ESR1 (0.31) | ESR1POLBESR2CTDSP1TDP1 |
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-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |