Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PDE6D | O43924 | 6/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1104386 | 0.83 | ALDH1A1 (0.59) | MEN1KMT2AALDH1A1HTTHPGD | |
| SCHEMBL28485108 | 0.81 | PDE6D (0.59) | MEN1KMT2AALDH1A1PDE6DNPC1 | |
| SCHEMBL28489555 | 0.77 | PDE6D (0.55) | MEN1KMT2AALDH1A1HTTHPGD | |
| SCHEMBL1104378 | 0.75 | ALDH1A1 (0.54) | MEN1KMT2AALDH1A1HTTHPGD | |
| SCHEMBL1104400 | 0.74 | ALDH1A1 (0.50) | KMT2AALDH1A1HTTHPGDNPSR1 | |
| SCHEMBL28489558 | 0.73 | PDE1A (0.43) | MEN1KMT2AALDH1A1HTTHPGD | |
| SCHEMBL10011720 | 0.72 | PDE4A (0.49) | MEN1KMT2AALDH1A1HPGDMAPT | |
| SCHEMBL1104402 | 0.72 | ALDH1A1 (0.55) | KMT2AALDH1A1HPGDMAPTNPSR1 | |
| SCHEMBL10480335 | 0.71 | ALDH1A1 (0.55) | MEN1KMT2AALDH1A1HPGDMAPT | |
| SCHEMBL1104406 | 0.71 | MEN1 (0.55) | MEN1KMT2AALDH1A1HTTHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111875583-B | Triazole derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-06-15 | — | — | CN | disclosed |
| CN-109666022-B | Triazole derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2021-06-15 | — | — | CN | disclosed |
| CN-111875583-A | Triazole derivative and preparation method and application thereof | 中国科学院上海药物研究所 | 2020-11-03 | — | — | CN | disclosed |