Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28122926 | 0.77 | CYP1A2 (0.36) | ALDH1A1SMN1; SMN2TDP1MAPTCYP1A2 | |
| SCHEMBL28154152 | 0.73 | P2RX7 (0.42) | P2RX7ALDH1A1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL3375301 | 0.66 | ALDH1A1 (0.60) | P2RX7ALDH1A1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL1172667 | 0.66 | — | — | |
| SCHEMBL29157168 | 0.66 | KDM4E (0.40) | CTSDALDH1A1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL874320 | 0.66 | CYP1A2 (0.38) | ALDH1A1MEN1KMT2APOLBMAPT | |
| SCHEMBL11318233 | 0.65 | CYP1A2 (0.53) | KDM4ESMN1; SMN2MEN1KMT2ATDP1 | |
| SCHEMBL9518950 | 0.65 | MAPT (0.44) | ALDH1A1KDM4EMEN1KMT2ATDP1 | |
| SCHEMBL29157189 | 0.64 | KDM4E (0.38) | CTSDALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL1172467 | 0.63 | CYP1A2 (0.40) | SMN1; SMN2POLBMAPTCYP1A2CYP2C9 |
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-115141190-B | 1,2, 4-triazolyl-1, 3, 4-oxadiazole energetic compound and preparation method thereof | 南京理工大学 | 2024-01-12 | — | — | CN | claimed |
| CN-115141190-A | 1,2, 4-triazol-1, 3, 4-oxadiazole energetic compound and preparation method thereof | 南京理工大学 | 2022-10-04 | — | — | CN | claimed |
| CN-115141190-B | 1,2, 4-triazolyl-1, 3, 4-oxadiazole energetic compound and preparation method thereof | 南京理工大学 | 2024-01-12 | — | — | CN | disclosed |
| CN-115141190-A | 1,2, 4-triazol-1, 3, 4-oxadiazole energetic compound and preparation method thereof | 南京理工大学 | 2022-10-04 | — | — | CN | disclosed |