Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 6/20 | 0.56 |
| ▸ | PARP1 | P09874 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 6/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | MGAM | O43451 | 4/20 | 0.49 |
| ▸ | SI | P14410 | 4/20 | 0.49 |
| ▸ | MGAM2 | Q2M2H8 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | PTGES | O14684 | 1/20 | 0.48 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.46 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.46 |
| ▸ | GCGR | P47871 | 1/20 | 0.46 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.46 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5938 | 1.00 | DHODH (0.56) | DHODHPARP1GAANPC1RAB9A | |
| SCHEMBL29056629 | 0.85 | GAA (0.68) | DHODHPARP1GAANPC1RAB9A | |
| SCHEMBL29056668 | 0.82 | MGAM (0.69) | DHODHPARP1GAAMGAMSI | |
| SCHEMBL29056753 | 0.82 | GAA (0.69) | PARP1GAAMGAMSIMGAM2 | |
| SCHEMBL29056652 | 0.82 | PTGES (0.56) | PARP1GAANPC1RAB9AMGAM | |
| SCHEMBL29056720 | 0.81 | PARP1 (0.62) | DHODHPARP1GAANPC1RAB9A | |
| SCHEMBL29056651 | 0.81 | MGAM (0.48) | DHODHPARP1GAANPC1RAB9A | |
| SCHEMBL29056620 | 0.81 | MGAM (0.51) | DHODHPARP1GAAMGAMSI | |
| SCHEMBL3286051 | 0.81 | HDAC6 (0.60) | PARP1GAAMGAMSIMGAM2 | |
| SCHEMBL31027957 | 0.80 | DHODH (0.59) | DHODHPARP1GAANPC1RAB9A |
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-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |