Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 5/20 | 0.38 |
| ▸ | DRD3 | P35462 | 4/20 | 0.38 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31420630 | 0.78 | CYP2D6 (0.44) | CYP2D6DRD2DRD3 | |
| SCHEMBL856649 | 0.78 | CYP2D6 (0.44) | CYP2D6DRD2DRD3 | |
| SCHEMBL1220329 | 0.76 | HDAC3 (0.60) | TP53DRD2DRD3HDAC3HDAC4 | |
| SCHEMBL4139290 | 0.76 | HDAC3 (0.60) | TP53DRD2DRD3HDAC3HDAC4 | |
| SCHEMBL4793567 | 0.74 | CYP2D6 (0.44) | CYP2D6TP53MEN1KMT2A | |
| SCHEMBL4793572 | 0.74 | CYP2D6 (0.44) | CYP2D6TP53MEN1KMT2A | |
| SCHEMBL3589202 | 0.74 | FAAH (0.54) | LTA4HMEN1KMT2A | |
| SCHEMBL25401088 | 0.74 | TP53 (0.69) | KCNH2TP53DRD2DRD3CACNA1I | |
| SCHEMBL4270988 | 0.73 | CYP2D6 (0.53) | KCNH2CYP2D6CACNA1IHDAC3HDAC4 | |
| SCHEMBL19691811 | 0.73 | HRH3 (0.56) | MEN1KMT2AHRH1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2178886-A1 | MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS | Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) | 2010-04-28 | — | — | EP | disclosed |
| EP-2178885-A1 | MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS | Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009010783-A1 | MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2009-01-22 | — | — | WO | disclosed |
| WO-2009010785-A1 | MACROCYCLIC INDOLE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INFECTIONS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2009-01-22 | — | — | WO | disclosed |