Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | XBP1 | P17861 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27533745 | 1.00 | TSHR (0.61) | TSHRCTDSP1ALDH1A1KMT2AMEN1 | |
| SCHEMBL2771156 | 0.89 | TSHR (0.62) | TSHRALDH1A1KMT2AMEN1HSD17B10 | |
| SCHEMBL7664873 | 0.88 | TSHR (0.54) | TSHRCTDSP1ALDH1A1HSD17B10ADORA3 | |
| Dimethylamine SCHEMBL1335350 | 0.87 | TSHR (0.53) | TSHRCTDSP1ALDH1A1KMT2AMEN1 | |
| SCHEMBL29030410 | 0.86 | CAPN1 (0.46) | TSHRCTDSP1ALDH1A1KMT2AMEN1 | |
| SCHEMBL6420301 | 0.84 | TSHR (0.61) | TSHRALDH1A1KMT2AMEN1HSD17B10 | |
| SCHEMBL6420305 | 0.84 | TSHR (0.61) | TSHRALDH1A1KMT2AMEN1HSD17B10 | |
| SCHEMBL1335348 | 0.84 | CAPN1 (0.54) | TSHRCTDSP1ALDH1A1KMT2AMEN1 | |
| SCHEMBL1335346 | 0.84 | CAPN1 (0.54) | TSHRCTDSP1ALDH1A1KMT2AMEN1 | |
| SCHEMBL7322975 | 0.83 | TSHR (0.51) | TSHRALDH1A1HSD17B10CDC25B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117143017-B | Method for constructing isoquinoline compound based on aryl migration strategy, hole transport material molecule and preparation method thereof, perovskite solar cell and preparation method thereof | 广东工业大学 | 2026-05-19 | — | — | CN | claimed |
| CN-117143017-A | Method for constructing isoquinoline compound based on aryl migration strategy, hole transport material molecule and preparation method thereof, perovskite solar cell and preparation method thereof | 广东工业大学 | 2023-12-01 | — | — | CN | claimed |
| CN-117143017-A | Method for constructing isoquinoline compound based on aryl migration strategy, hole transport material molecule and preparation method thereof, perovskite solar cell and preparation method thereof | 广东工业大学 | 2023-12-01 | — | — | CN | disclosed |
| US-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |