Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.65 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.65 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.65 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CTSV | O60911 | 1/20 | 0.54 |
| ▸ | CTSL | P07711 | 1/20 | 0.54 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | MGLL | Q99685 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29910262 | 1.00 | PDK1 (0.65) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL4032867 | 0.90 | NPC1 (0.57) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL595941 | 0.88 | MAOB (0.59) | PDK1PDK2PDK3PDK4MAOB | |
| SCHEMBL14860980 | 0.88 | MAOB (0.59) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL20132317 | 0.87 | PDK1 (0.51) | PDK1PDK2PDK3PDK4MEN1 | |
| SCHEMBL7076430 | 0.86 | KMT2A (0.65) | MEN1KMT2ALMNANR1H4MAOB | |
| SCHEMBL12533268 | 0.85 | SIRT2 (0.60) | PDK1PDK2PDK3PDK4NR1H4 | |
| SCHEMBL2987817 | 0.85 | RAB9A (0.74) | MEN1KMT2ALTA4HNPC1RAB9A | |
| SCHEMBL480266 | 0.84 | MAPK1 (0.61) | MEN1KMT2ALMNANPC1RAB9A | |
| SCHEMBL7143402 | 0.84 | MEN1 (0.60) | PDK1PDK2PDK3PDK4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023222124-A1 | 5,6-DIHYDRO-1,2,4-TRIAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF AS GLP-1 RECEPTOR AGONIST | 中国科学院上海药物研究所 | 2023-11-23 | — | — | WO | disclosed |
| WO-2021016333-A1 | ARYL SULFONAMIDES AS SMALL MOLECULE STAT3 INHIBITORS | UNIVERSITY OF HAWAII (US) | 2021-01-28 | — | — | WO | disclosed |
| CN-1088199-A | The aniline that N-replaces | HOFFMANN LA ROCHE (CH) | 1994-06-22 | — | — | CN | disclosed |