Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12758444 | 0.79 | PDCD1 (0.58) | SMN1; SMN2TP53MAPTALDH1A1POLB | |
| SCHEMBL29577973 | 0.73 | SMN1; SMN2 (0.62) | SMN1; SMN2TP53MAPTALDH1A1POLB | |
| SCHEMBL24489012 | 0.73 | SMN1; SMN2 (0.62) | SMN1; SMN2TP53MAPTALDH1A1POLB | |
| SCHEMBL8061202 | 0.71 | KDM4E (0.47) | SMN1; SMN2MAPTALDH1A1POLBHPGD | |
| SCHEMBL6075951 | 0.71 | HDAC1 (0.56) | HDAC6SMN1; SMN2TP53MAPTALDH1A1 | |
| SCHEMBL24489089 | 0.70 | ALDH1A1 (0.62) | SMN1; SMN2TP53MAPTALDH1A1HPGD | |
| SCHEMBL29694087 | 0.70 | ALDH1A1 (0.62) | SMN1; SMN2TP53MAPTALDH1A1HPGD | |
| SCHEMBL13148079 | 0.69 | NPSR1 (0.67) | MAPTALDH1A1POLBHPGDLMNA | |
| SCHEMBL17552236 | 0.69 | KDR (0.59) | HDAC6SMN1; SMN2TP53MAPTALDH1A1 | |
| SCHEMBL29911127 | 0.69 | KDR (0.59) | HDAC6SMN1; SMN2TP53MAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7999117-B2 | Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors | ABBVIE INC. | 2011-08-16 | — | — | US | disclosed |