Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | ADH1B | P00325 | 1/20 | 0.41 |
| ▸ | ADH1C | P00326 | 1/20 | 0.41 |
| ▸ | ADH1A | P07327 | 1/20 | 0.41 |
| ▸ | ADH7 | P40394 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9366877 | 0.79 | TP53 (0.44) | IDO1KMT2AMAPTCYP3A4KDM4E | |
| SCHEMBL24497367 | 0.79 | CYP3A4 (0.48) | IDO1MEN1KMT2ATHRBTDP1 | |
| Hydrochloric Acid SCHEMBL11149712 | 0.77 | TP53 (0.42) | IDO1MEN1KMT2AMAPTCYP3A4 | |
| SCHEMBL11360130 | 0.77 | IDO1 (0.52) | IDO1MEN1KMT2ATHRBTDP1 | |
| SCHEMBL24221429 | 0.77 | EPHX2 (0.44) | IDO1MEN1KMT2ATHRBTDP1 | |
| SCHEMBL14724375 | 0.76 | CYP3A4 (0.45) | IDO1MEN1KMT2ATHRBTDP1 | |
| Hydrochloric Acid SCHEMBL28151854 | 0.76 | TP53 (0.41) | IDO1MEN1KMT2AMAPTCYP3A4 | |
| SCHEMBL11775817 | 0.76 | EPHX2 (0.46) | MEN1KMT2AMAPTCYP3A4KDM4E | |
| SCHEMBL10337461 | 0.74 | MAOB (0.42) | IDO1TDP1MAPTCYP3A4KDM4E | |
| SCHEMBL109301 | 0.73 | CYP3A4 (0.52) | IDO1MEN1KMT2ATHRBTDP1 |
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 |