Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ESRRB | O95718 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2738356 | 1.00 | CYP1A2 (0.68) | CYP1A2CYP2D6HSD17B10LMNAMAPK1 | |
| SCHEMBL478673 | 0.84 | TSHR (0.48) | CYP1A2CYP2D6HSD17B10LMNAMAPK1 | |
| SCHEMBL14542586 | 0.83 | CYP1A2 (0.64) | CYP1A2CYP2D6HSD17B10LMNAMAPK1 | |
| SCHEMBL11116388 | 0.83 | CYP1A2 (0.64) | CYP1A2CYP2D6HSD17B10LMNAMAPK1 | |
| SCHEMBL11116386 | 0.83 | CYP1A2 (0.64) | CYP1A2CYP2D6HSD17B10LMNAMAPK1 | |
| SCHEMBL14286180 | 0.81 | CYP1A2 (1.00) | CYP1A2CYP2D6HSD17B10LMNAMAPK1 | |
| SCHEMBL17489043 | 0.81 | CYP1A2 (1.00) | CYP1A2CYP2D6HSD17B10LMNAMAPK1 | |
| SCHEMBL14542242 | 0.78 | HSD17B10 (0.57) | CYP1A2CYP2D6HSD17B10LMNAMAPK1 | |
| SCHEMBL22143556 | 0.75 | CYP1A2 (0.53) | CYP1A2CYP2D6HSD17B10LMNAMAPK1 | |
| SCHEMBL12511943 | 0.73 | L3MBTL1 (0.56) | CYP1A2CYP2D6HSD17B10LMNAMAPK1 |
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-1687018-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-01-25 | — | — | EP | disclosed |
| US-7741281-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-06-22 | — | — | US | disclosed |