Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28529020 | 0.86 | MMP2 (0.54) | ALDH1A1KMT2AMEN1LMNAHTT | |
| SCHEMBL30667700 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TSHRKMT2AMEN1LMNA | |
| SCHEMBL20512253 | 0.79 | ALDH1A1 (0.51) | ALDH1A1TSHRKMT2AMEN1PKM | |
| SCHEMBL20512270 | 0.76 | ALDH1A1 (0.55) | ALDH1A1KMT2AMEN1LMNAHTT | |
| SCHEMBL29260042 | 0.76 | ALDH1A1 (0.84) | ALDH1A1TSHRKMT2AMEN1PKM | |
| SCHEMBL28463579 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KMT2AMEN1LMNAHTT | |
| SCHEMBL28452508 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KMT2AMEN1LMNAHTT | |
| SCHEMBL5567042 | 0.74 | ALDH1A1 (0.75) | ALDH1A1KMT2AMEN1LMNAHTT | |
| SCHEMBL20512257 | 0.73 | ALDH1A1 (0.60) | ALDH1A1KMT2AMEN1LMNAHTT | |
| SCHEMBL6020322 | 0.73 | ALDH1A1 (0.60) | ALDH1A1KMT2AMEN1LMNAHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112358431-B | 3-thiopyrroline compound and synthetic method thereof | 太原理工大学 | 2022-02-15 | — | — | CN | disclosed |
| CN-112358431-A | 3-thiopyrroline compound and synthetic method thereof | 太原理工大学 | 2021-02-12 | — | — | CN | disclosed |