Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | TNFRSF1A | P19438 | 3/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.40 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.40 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.40 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.40 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.40 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29052778 | 1.00 | ALDH1A1 (0.58) | ALDH1A1MAPK1TNFRSF1APARP1PARP2 | |
| SCHEMBL4324647 | 0.84 | ALDH1A1 (0.62) | ALDH1A1MAPK1TNFRSF1AKMT2ATUBB1 | |
| SCHEMBL23094546 | 0.83 | TUBB1 (0.44) | ALDH1A1MAPK1KMT2ATUBB1HTT | |
| SCHEMBL27426717 | 0.83 | ALDH1A1 (0.42) | ALDH1A1MAPK1KMT2ATUBB1TUBB4A | |
| SCHEMBL524712 | 0.80 | ALDH1A1 (0.63) | ALDH1A1MAPK1TNFRSF1AKMT2ATUBB1 | |
| SCHEMBL30122857 | 0.80 | ALDH1A1 (0.63) | ALDH1A1MAPK1TNFRSF1AKMT2ATUBB1 | |
| SCHEMBL14958356 | 0.78 | ALDH1A1 (0.61) | ALDH1A1MAPK1TNFRSF1AKMT2ATUBB1 | |
| SCHEMBL29052943 | 0.78 | ALDH1A1 (0.59) | ALDH1A1MAPK1TNFRSF1AKMT2ATUBB1 | |
| SCHEMBL30573299 | 0.78 | ALDH1A1 (0.59) | ALDH1A1MAPK1TNFRSF1AKMT2ATUBB1 | |
| SCHEMBL29954637 | 0.77 | ALDH1A1 (0.78) | ALDH1A1MAPK1TNFRSF1AKMT2AHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116606256-A | Benzimidazole-4-carboxamide derivatives with selective PARP-1 inhibition effect | 山东大学 | 2023-08-18 | — | — | CN | disclosed |