Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | CCR2 | P41597 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL7291776 | 0.95 | KCNH2 (0.47) | KCNH2KMT2ADRD2DRD4DRD3 | |
| Fumaric Acid SCHEMBL9149650 | 0.93 | CCR2 (0.39) | KCNH2CCR2FAAHCYP3A4CYP2D6 | |
| Fumaric Acid SCHEMBL9149646 | 0.93 | CCR2 (0.39) | KCNH2CCR2FAAHCYP3A4CYP2D6 | |
| SCHEMBL7292958 | 0.93 | KCNH2 (0.38) | KCNH2CCR2KMT2ADRD2DRD4 | |
| SCHEMBL7294243 | 0.88 | SIGMAR1 (0.43) | — | |
| SCHEMBL7289973 | 0.87 | SLC6A3 (0.44) | DRD2DRD4DRD3 | |
| SCHEMBL7289109 | 0.86 | SIGMAR1 (0.39) | KCNH2DRD2DRD4DRD3 | |
| SCHEMBL7291484 | 0.83 | MAOA (0.37) | DRD4ABCB1CYP2D6TSHR | |
| SCHEMBL7298864 | 0.83 | CCR2 (0.44) | KCNH2CCR2KMT2ADRD2DRD3 | |
| SCHEMBL9490288 | 0.83 | CCR2 (0.34) | KCNH2CCR2TACR1MAPK1 |
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-0458387-B1 | Isochromane derivatives | AKZO NOBEL NV (NL) | 1996-07-03 | — | — | EP | disclosed |
| US-5393759-A | Isochromane derivatives | AKZO N.V. (NL) | 1995-02-28 | — | — | US | disclosed |
| US-5238939-A | Isochromane derivatives | AKZO N.V. (NL) | 1993-08-24 | — | — | US | disclosed |
| EP-0458387-A1 | Isochromane derivatives | Akzo Nobel N.V. (NL) | 1991-11-27 | — | — | EP | disclosed |