Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2229625 | 0.78 | TSHR (0.47) | ALDH1A1TSHRNPSR1KMT2AGAA | |
| SCHEMBL28465983 | 0.77 | ADRA2B (0.53) | ALDH1A1TSHRKMT2ANPC1RAB9A | |
| SCHEMBL2565075 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRNPSR1KMT2AGAA | |
| SCHEMBL12124877 | 0.76 | TSHR (0.50) | ALDH1A1TSHRKMT2ANPC1RAB9A | |
| SCHEMBL4369852 | 0.76 | TSHR (0.43) | ALDH1A1TSHRNPSR1KMT2AGAA | |
| SCHEMBL27855214 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TSHRNPSR1KMT2AGAA | |
| SCHEMBL12126189 | 0.75 | TSHR (0.48) | ALDH1A1TSHRNPSR1KMT2AGAA | |
| SCHEMBL156140 | 0.74 | TSHR (0.51) | ALDH1A1TSHRNPSR1KMT2AGAA | |
| SCHEMBL4374565 | 0.74 | TSHR (0.41) | ALDH1A1TSHRNPSR1KMT2AGAA | |
| SCHEMBL4373305 | 0.74 | TSHR (0.41) | ALDH1A1TSHRNPSR1KMT2AGAA |
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-119019311-A | Synthesis method of 3-malononitrile substituted indole derivative | 兰州大学 | 2024-11-26 | — | — | CN | disclosed |