Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | ADH1B | P00325 | 1/20 | 0.40 |
| ▸ | ADH1C | P00326 | 1/20 | 0.40 |
| ▸ | ADH1A | P07327 | 1/20 | 0.40 |
| ▸ | ADH7 | P40394 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10133107 | 0.90 | RAB9A (0.47) | MEN1KMT2AHTTCA2ALDH1A1 | |
| SCHEMBL13888911 | 0.84 | LMNA (0.49) | KMT2ATDP1MAPTKDM4EHTT | |
| SCHEMBL13554194 | 0.83 | TP53 (0.41) | IDO1MEN1KMT2ATHRBTDP1 | |
| SCHEMBL11064796 | 0.81 | TDP1 (0.41) | IDO1MEN1KMT2ATHRBTDP1 | |
| SCHEMBL11061936 | 0.81 | IDO1 (0.40) | IDO1MEN1KMT2ATHRBTDP1 | |
| SCHEMBL27900484 | 0.78 | EPHX2 (0.42) | IDO1MEN1KMT2ATHRBTDP1 | |
| SCHEMBL18602719 | 0.77 | CYP3A4 (0.48) | IDO1MEN1KMT2ATHRBTDP1 | |
| SCHEMBL14930167 | 0.77 | TP53 (0.44) | MEN1KMT2AMAPTCYP3A4KDM4E | |
| SCHEMBL24590520 | 0.74 | HPGD (0.47) | MEN1KMT2ATDP1MAPTCYP3A4 | |
| SCHEMBL10133097 | 0.73 | SRC (0.43) | MEN1KMT2ACYP3A4HSD17B10ALDH1A1 |
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-113845527-B | Chiral macrocyclic molecule and preparation method thereof, water-soluble chiral macrocyclic molecule and preparation method and application thereof | 南方科技大学 | 2023-02-17 | — | — | CN | disclosed |
| CN-113845527-A | Chiral macrocyclic molecule and preparation method thereof, water-soluble chiral macrocyclic molecule and preparation method and application thereof | 南方科技大学 | 2021-12-28 | — | — | CN | disclosed |