Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CCL2 | P13500 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11348748 | 0.78 | BRD4 (0.41) | BRD4CCL2HTR2AATM | |
| SCHEMBL17284105 | 0.75 | BRD4 (0.36) | BRD4CCL2HTR2AATM | |
| SCHEMBL418352 | 0.74 | BRD4 (0.38) | BRD4CCL2HTR2AATM | |
| Hydrochloric Acid SCHEMBL11111763 | 0.73 | BRD4 (0.35) | BRD4CCL2HTR2AATM | |
| SCHEMBL11068277 | 0.70 | BRD4 (0.35) | BRD4CCL2HTR2AATM | |
| SCHEMBL514156 | 0.67 | BRD4 (0.34) | BRD4CCL2HTR2A | |
| SCHEMBL4958554 | 0.66 | BRD4 (0.37) | BRD4CCL2HTR2AATM | |
| SCHEMBL230905 | 0.64 | BRD4 (0.36) | BRD4CCL2HTR2AATM | |
| SCHEMBL11041396 | 0.62 | BRD4 (0.34) | BRD4CCL2HTR2AATM | |
| SCHEMBL20506900 | 0.62 | ATM (0.38) | BRD4CCL2HTR2AATM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000020005-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING AN OPIATE ANALGESIC AND A SYNERGIZING SUBSTANCE | EGIS Gyógyszergyár Rt. (HU) | 2000-04-13 | — | — | WO | claimed |
| EP-0204731-A1 | 4-SUBSTITUTED-PYRIMIDO AD6,1-a BD ISOQUINOLINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) | 1986-12-17 | — | — | EP | claimed |
| WO-1986002928-A1 | 4-SUBSTITUTED-PYRIMIDO AD6,1-a BD ISOQUINOLINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) | 1986-05-22 | — | — | WO | claimed |
| JP-2188517-A | — | — | None | — | — | JP | disclosed |
| WO-2000020005-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING AN OPIATE ANALGESIC AND A SYNERGIZING SUBSTANCE | EGIS Gyógyszergyár Rt. (HU) | 2000-04-13 | — | — | WO | disclosed |
| JP-H02188517-A | PHARMACEUTICAL COMPOSITION COMPRISING LABDANE DITERPENOID DERIVATIVE AND PYRIMIDO(61-A)ISOQUINOLIN-4-ONE DERIVATIVE | HOECHST AG | 1990-07-24 | — | — | JP | disclosed |