Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 9/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.35 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 4/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7043781 | 0.88 | TAAR1 (0.41) | TAAR1PARP1POLBPARP2PARP3 | |
| SCHEMBL7041778 | 0.88 | JAK2 (0.42) | TAAR1PARP1POLBPARP2PARP3 | |
| SCHEMBL7041803 | 0.88 | TAAR1 (0.41) | TAAR1PARP1POLBPARP2PARP3 | |
| SCHEMBL7041163 | 0.87 | TAAR1 (0.41) | TAAR1PARP1PARP2PARP3ALDH1A1 | |
| SCHEMBL5621827 | 0.87 | PARP1 (0.49) | TAAR1PARP1PARP2PARP3 | |
| SCHEMBL7039421 | 0.86 | CHRM1 (0.44) | PARP1POLBPARP2PARP3 | |
| SCHEMBL7046373 | 0.86 | JAK2 (0.45) | PARP1HIF1APOLBCNR2BRD4 | |
| SCHEMBL7043517 | 0.86 | MEN1 (0.41) | TAAR1PARP1CNR2PARP2PARP3 | |
| SCHEMBL7041738 | 0.85 | TAAR1 (0.54) | TAAR1PARP1PARP2PARP3 | |
| SCHEMBL7040702 | 0.85 | KMT2A (0.42) | TAAR1PARP1CNR2PARP2PARP3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1133477-B1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2004-02-18 | — | — | EP | disclosed |