Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.42 |
| ▸ | CCR5 | P51681 | 13/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13738460 | 0.81 | HRH3 (0.43) | SIGMAR1OPRM1CCR5CYP1A2CYP3A4 | |
| SCHEMBL13738461 | 0.81 | HRH3 (0.43) | SIGMAR1OPRM1CCR5CYP1A2CYP3A4 | |
| SCHEMBL15668110 | 0.81 | HRH3 (0.43) | SIGMAR1OPRM1CCR5CYP1A2CYP3A4 | |
| SCHEMBL1220330 | 0.76 | OPRM1 (0.59) | SIGMAR1OPRM1DRD2HTR2AHTR2C | |
| SCHEMBL3817982 | 0.76 | OPRM1 (0.59) | SIGMAR1OPRM1DRD2HTR2AHTR2C | |
| SCHEMBL856650 | 0.75 | MCHR1 (0.43) | MCHR1 | |
| Hydrochloric Acid SCHEMBL4469376 | 0.75 | OPRM1 (0.57) | SIGMAR1OPRM1DRD2HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL4469375 | 0.75 | OPRM1 (0.57) | SIGMAR1OPRM1DRD2HTR2AHTR2C | |
| SCHEMBL2053926 | 0.74 | SMN1; SMN2 (0.48) | SIGMAR1OPRM1CCR5DRD2HTR2A | |
| SCHEMBL3589205 | 0.74 | MCHR1 (0.59) | SIGMAR1MCHR1 |
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 |