Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 2/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.44 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.44 |
| ▸ | HTR3A | P46098 | 2/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL7414570 | 0.74 | HTR3A (0.40) | PIM1HTR3APARP1 | |
| SCHEMBL7600366 | 0.71 | HTR3A (0.59) | PIM1HTR3AHRH4BCHEACHE | |
| SCHEMBL13894488 | 0.69 | NPC1 (0.65) | HTR3ABCHEACHE | |
| SCHEMBL20458912 | 0.69 | HTR3A (0.44) | PIM1TLR9TLR8HTR3APARP1 | |
| SCHEMBL3075702 | 0.68 | HTR3A (0.88) | PIM1HTR3ANCF1BCHEACHE | |
| SCHEMBL18930378 | 0.68 | HSD17B10 (0.41) | HTR3APARP1 | |
| SCHEMBL7415578 | 0.68 | PIM1 (0.40) | PIM1HTR3AHRH4HRH3PARP1 | |
| SCHEMBL5621907 | 0.68 | PARP1 (0.66) | PARP1 | |
| Bromide SCHEMBL6599072 | 0.67 | HTR3A (0.85) | PIM1HTR3ANCF1BCHEACHE | |
| SCHEMBL7463681 | 0.67 | ADRB1 (0.44) | PIM1HTR3AHRH4BCHEACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-1133477-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000032579-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-08 | — | — | WO | disclosed |