Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | CDC25B | P30305 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ASPH | Q12797 | 1/20 | 0.35 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30822021 | 0.85 | KMT2A (0.35) | ALDH1A1NOTUMCES2BCHECES1 | |
| SCHEMBL3686999 | 0.77 | NOTUM (0.56) | ALBCYP2C9ALDH1A1ALOX15NOTUM | |
| SCHEMBL30677858 | 0.76 | CYP2C9 (0.49) | CYP2C9ALDH1A1ALOX15CDC25BNAPRT | |
| SCHEMBL4979884 | 0.75 | NOTUM (0.37) | ALBCYP2C9ALDH1A1ALOX15NOTUM | |
| SCHEMBL11135442 | 0.75 | ALB (0.42) | ALBCYP2C9ALDH1A1ALOX15NOTUM | |
| SCHEMBL30515523 | 0.74 | HTR2C (0.51) | CES2BCHECES1 | |
| SCHEMBL5094518 | 0.74 | HTR2C (0.51) | CES2BCHECES1 | |
| SCHEMBL31056360 | 0.74 | CTSV (0.42) | NR4A2 | |
| SCHEMBL336107 | 0.73 | ALDH1A1 (0.60) | ALBALDH1A1ALOX15NAPRTCES2 | |
| SCHEMBL4968051 | 0.73 | NOTUM (0.36) | ALBCYP2C9ALDH1A1ALOX15NOTUM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2012780-A4 | SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS | ABBOTT LAB (US) | 2009-06-24 | — | — | EP | disclosed |
| EP-2012780-A2 | SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS | Abbott Laboratories (US) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007131016-A2 | SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS | ABBOTT LABORATORIES (US) | 2007-11-15 | — | — | WO | disclosed |