Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 9/20 | 0.36 |
| ▸ | HTR2C | P28335 | 9/20 | 0.36 |
| ▸ | HTR2B | P41595 | 9/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11668352 | 0.75 | SIGMAR1 (0.40) | MAOATSHRTACR1HTR2AHTR2C | |
| SCHEMBL7292071 | 0.71 | SIGMAR1 (0.49) | — | |
| SCHEMBL7298566 | 0.70 | SLC6A2 (0.43) | TSHR | |
| SCHEMBL7289449 | 0.69 | KCNH2 (0.45) | HTR2AHTR2C | |
| SCHEMBL11427100 | 0.69 | PARP1 (0.41) | TACR1 | |
| SCHEMBL11221731 | 0.68 | ALOX15 (0.39) | TACR1 | |
| SCHEMBL11668288 | 0.67 | MAOA (0.44) | MAOA | |
| SCHEMBL11258136 | 0.67 | CYP3A4 (0.42) | TSHR | |
| SCHEMBL11271602 | 0.65 | PARP1 (0.40) | TSHRTACR1 | |
| SCHEMBL8405226 | 0.64 | MAOA (0.44) | MAOATSHRHTR2AHTR2CHTR2B |
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 |