Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.45 |
| ▸ | MMP7 | P09237 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.45 |
| ▸ | KLK7 | P49862 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5889141 | 0.96 | CTRB1 (0.51) | PARP1CTRB1HTTNPC1RAB9A | |
| SCHEMBL9247790 | 0.88 | PARP1 (0.54) | PARP1HTTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7059242 | 0.87 | PARP1 (0.53) | PARP1HTTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1992243 | 0.87 | SMN1; SMN2 (0.62) | PARP1HTTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL957813 | 0.86 | PARP1 (0.58) | PARP1HTTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1375861 | 0.86 | PARP1 (0.58) | PARP1HTTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3766378 | 0.86 | PARP1 (0.58) | PARP1HTTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2820733 | 0.85 | PARP1 (0.55) | PARP1HTTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20129643 | 0.85 | PARP1 (0.55) | PARP1HTTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13681760 | 0.85 | PARP1 (0.55) | PARP1HTTNPC1RAB9ASMN1; SMN2 |
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-2010178-B1 | SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS | MERCK SHARP & DOHME (US) | 2010-09-01 | — | — | EP | disclosed |