Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 8/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | EED | O75530 | 1/20 | 0.35 |
| ▸ | RBBP4 | Q09028 | 1/20 | 0.35 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.35 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2471937 | 0.81 | GPR119 (0.37) | POLBMEN1KMT2AHTTKDM4E | |
| SCHEMBL7680178 | 0.77 | GPR119 (0.34) | POLBSMN1; SMN2KDM4E | |
| SCHEMBL6555078 | 0.72 | L3MBTL1 (0.35) | POLBALDH1A1TDP1L3MBTL1KDM4E | |
| SCHEMBL7684740 | 0.72 | POLB (0.37) | CYP1A2CYP3A4CYP2C19ANO1CTSS | |
| SCHEMBL5849847 | 0.70 | GPR119 (0.37) | POLBMEN1KMT2AMAPTHTT | |
| SCHEMBL7688968 | 0.69 | CYP2C19 (0.46) | CYP1A2CYP3A4CYP2C19POLBSMN1; SMN2 | |
| Methyl Alcohol SCHEMBL11407062 | 0.69 | CYP2C19 (0.55) | CYP2C19POLBSMN1; SMN2ESR1STAT3 | |
| SCHEMBL621289 | 0.69 | — | — | |
| SCHEMBL31326699 | 0.69 | GPR119 (0.36) | POLBSMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL10916089 | 0.68 | NPC1 (0.49) | CYP1A2CYP3A4CYP2C19CTSSCTSK |
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-6359061-B1 | COMBINATORIAL LIBRARIES ARE USEFUL FOR SCREENING IN BIOLOGCAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS | ISIS PHARMACEUTICALS, INC. | 2002-03-19 | — | — | US | disclosed |