Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31423404 | 0.80 | MAPT (0.44) | TSHRLMNAALDH1A1TDP1KMT2A | |
| SCHEMBL27642229 | 0.78 | TSHR (0.50) | TSHRMAPK1HIF1ALMNAF2 | |
| SCHEMBL2729575 | 0.77 | TSHR (0.54) | TSHRMAPK1HIF1ALMNAF2 | |
| SCHEMBL11896536 | 0.77 | TSHR (0.50) | TSHRMAPK1HIF1ALMNAF2 | |
| SCHEMBL582408 | 0.75 | ALDH1A1 (0.53) | TSHRMAPK1HIF1ALMNAF2 | |
| SCHEMBL6483048 | 0.75 | TSHR (0.47) | TSHRMAPK1HIF1ALMNAF2 | |
| SCHEMBL20565663 | 0.74 | ALDH1A1 (0.51) | MAPK1LMNAALDH1A1TDP1KMT2A | |
| SCHEMBL13889265 | 0.74 | TSHR (0.50) | TSHRMAPK1HIF1ALMNAF2 | |
| SCHEMBL1532124 | 0.74 | TSHR (0.50) | TSHRMAPK1HIF1ALMNAF2 | |
| SCHEMBL28026570 | 0.74 | TSHR (0.50) | TSHRMAPK1HIF1ALMNAF2 |
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-110066236-B | 1H-pyrrole derivative, preparation method thereof, pharmaceutical composition and application thereof | 上海迪诺医药科技有限公司 | 2023-03-24 | — | — | CN | disclosed |