Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17429777 | 0.80 | TAAR1 (0.42) | TAAR1MEN1KMT2ASIGMAR1SLC6A2 | |
| SCHEMBL3678022 | 0.78 | TAAR1 (0.55) | TAAR1MEN1KMT2ASIGMAR1SLC6A2 | |
| SCHEMBL5322350 | 0.77 | SRR (0.59) | — | |
| SCHEMBL7301799 | 0.77 | SRR (0.59) | — | |
| SCHEMBL2700588 | 0.75 | SIGMAR1 (0.52) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL2554445 | 0.75 | TAAR1 (0.52) | TAAR1MEN1KMT2ASIGMAR1SLC6A2 | |
| SCHEMBL2322250 | 0.74 | HCAR2 (0.43) | TAAR1MEN1KMT2ACYP2D6TRPA1 | |
| SCHEMBL17636071 | 0.74 | TAAR1 (0.44) | TAAR1MEN1KMT2ASIGMAR1SLC6A2 | |
| SCHEMBL16416739 | 0.74 | SRR (0.51) | EPHX1 | |
| SCHEMBL3627334 | 0.74 | TAAR1 (0.56) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1677745-A4 | NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS | RENOVIS INC (US) | 2008-10-22 | — | — | EP | disclosed |
| EP-1677745-A2 | NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS | Renovis, Inc. (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005037208-A2 | NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS | RENOVIS, INC. (US) | 2005-04-28 | — | — | WO | disclosed |
| EP-1465897-A2 | PROCESS FOR PREPARING PROTEASE INHIBITOR INTERMEDIATES | SmithKline Beecham Corporation (US) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003024974-A2 | PROCESS FOR PREPARING PROTEASE INHIBITOR INTERMEDIATES | SMITHKLINE BEECHAM CORPORATION (US) | 2003-03-27 | — | — | WO | disclosed |