Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30715284 | 1.00 | TSHR (0.50) | TSHRKDM4EL3MBTL1TDP1LMNA | |
| SCHEMBL30715285 | 0.82 | MRGPRX4 (0.49) | TSHRKDM4EL3MBTL1TDP1LMNA | |
| SCHEMBL29115879 | 0.82 | MRGPRX4 (0.49) | TSHRKDM4EL3MBTL1TDP1LMNA | |
| SCHEMBL1840532 | 0.82 | TSHR (0.62) | TSHRKDM4EL3MBTL1TDP1LMNA | |
| SCHEMBL1954809 | 0.79 | TSHR (0.54) | TSHRKDM4EL3MBTL1TDP1LMNA | |
| Catechol SCHEMBL10530180 | 0.78 | TSHR (0.75) | TSHRKDM4EL3MBTL1TDP1LMNA | |
| SCHEMBL29115793 | 0.77 | PDK2 (0.48) | TSHRKDM4ETDP1LMNAMAPK1 | |
| SCHEMBL10599800 | 0.77 | TACR1 (0.64) | TSHRKDM4EL3MBTL1POLBTACR1 | |
| SCHEMBL16390993 | 0.77 | TACR1 (0.64) | TSHRKDM4EL3MBTL1POLBTACR1 | |
| Water SCHEMBL9538330 | 0.75 | TACR1 (0.62) | TSHRKDM4EL3MBTL1POLBTACR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114478337-B | Axial chiral sulfur-containing diaryl derivative and synthesis method thereof | 安徽泽升科技有限公司上海分公司 | 2023-11-28 | — | — | CN | disclosed |