Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | MMP3 | P08254 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 2/20 | 0.54 |
| ▸ | CA9 | Q16790 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30667707 | 0.87 | CA12 (0.58) | MMP2MMP3MMP13CA12CA9 | |
| SCHEMBL28530379 | 0.86 | ALDH1A1 (0.56) | CA12CA9L3MBTL1MEN1KMT2A | |
| SCHEMBL28463579 | 0.81 | ALDH1A1 (0.47) | CA12CA9CYP1A2CYP3A4ATM | |
| SCHEMBL812658 | 0.80 | USP2 (0.69) | CA12CA9CYP1A2CYP3A4ATM | |
| SCHEMBL30667700 | 0.79 | ALDH1A1 (0.58) | MMP2MMP3MMP13CA12CA9 | |
| SCHEMBL20512270 | 0.78 | ALDH1A1 (0.55) | MMP2MMP13CA12CA9MEN1 | |
| SCHEMBL20512258 | 0.78 | NPSR1 (0.51) | CA12CA9CYP1A2CYP3A4ATM | |
| SCHEMBL20512247 | 0.78 | ALDH1A1 (0.48) | CA12CA9CYP1A2CYP3A4ATM | |
| SCHEMBL812683 | 0.77 | ALDH1A1 (0.75) | CA12CA9CYP1A2CYP3A4ATM | |
| SCHEMBL26234061 | 0.77 | ALDH1A1 (0.50) | MMP2MMP3MMP13ALDH1A1NPSR1 |
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-112500425-B | 3-thiopyrrole compound and synthesis method thereof | 太原理工大学 | 2022-04-15 | — | — | CN | disclosed |
| CN-112358431-B | 3-thiopyrroline compound and synthetic method thereof | 太原理工大学 | 2022-02-15 | — | — | CN | disclosed |
| CN-112500425-A | 3-thiopyrrole compound and synthesis method thereof | 太原理工大学 | 2021-03-16 | — | — | CN | disclosed |
| CN-112358431-A | 3-thiopyrroline compound and synthetic method thereof | 太原理工大学 | 2021-02-12 | — | — | CN | disclosed |