Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL92396 | 0.86 | ESR1 (0.48) | TSHRESR1ESR2NPC1RAB9A | |
| Phosphine SCHEMBL28991719 | 0.83 | ESR1 (0.46) | TSHRESR1ESR2NPC1RAB9A | |
| SCHEMBL28415835 | 0.83 | ESR1 (0.46) | TSHRESR1ESR2NPC1RAB9A | |
| Methane SCHEMBL28815257 | 0.83 | ESR1 (0.46) | TSHRESR1ESR2NPC1RAB9A | |
| Ethylene SCHEMBL25342007 | 0.80 | ESR1 (0.44) | TSHRESR1ESR2NPC1RAB9A | |
| SCHEMBL196503 | 0.80 | LMNA (0.50) | TSHRCYP1A2LMNAKDM4ECYP2A6 | |
| Formaldehyde SCHEMBL28845505 | 0.78 | ESR1 (0.42) | TSHRESR1ESR2NPC1RAB9A | |
| SCHEMBL10319120 | 0.77 | ESR1 (0.43) | ESR1ESR2MAPTNR1H2NR1H3 | |
| SCHEMBL10319247 | 0.77 | ESR1 (0.43) | ESR1ESR2MAPTNR1H2NR1H3 | |
| SCHEMBL3889788 | 0.77 | TSHR (0.42) | TSHRNPC1RAB9ATP53NFKB1 |
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-116730879-A | Method for selectively synthesizing 4-amino-N- (hetero) aryl sulfonamide compound | 陕西师范大学 | 2023-09-12 | — | — | CN | disclosed |