Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CPA1 | P15085 | 2/20 | 0.47 |
| ▸ | PAM | P19021 | 1/20 | 0.47 |
| ▸ | CPB1 | P15086 | 1/20 | 0.47 |
| ▸ | CPA3 | P15088 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL45323 | 0.84 | CYP1A2 (0.43) | CYP1A2LMNATSHRPTGS1SIGMAR1 | |
| SCHEMBL9077889 | 0.79 | SRR (0.62) | SRR | |
| Bicarbonate SCHEMBL28233769 | 0.79 | NPC1 (0.49) | NPC1RAB9ACYP1A2LMNATSHR | |
| SCHEMBL5043805 | 0.79 | SLC6A2 (0.45) | NPC1RAB9ACYP1A2LMNASLC6A2 | |
| SCHEMBL2954179 | 0.78 | SLC1A3 (0.47) | CYP1A2PAMTSHRSLC6A2SLC6A3 | |
| Bicarbonate SCHEMBL28004213 | 0.78 | NPC1 (0.47) | NPC1RAB9ACYP1A2LMNATSHR | |
| SCHEMBL13108112 | 0.78 | NPC1 (0.51) | NPC1RAB9ACYP1A2LMNACPA1 | |
| SCHEMBL9427716 | 0.77 | SRR (0.50) | CYP1A2CPA1PAMCPB1CPA3 | |
| SCHEMBL6826673 | 0.76 | TSHR (0.53) | NPC1RAB9ACYP1A2LMNATSHR | |
| Bicarbonate SCHEMBL27963030 | 0.76 | NPC1 (0.53) | NPC1RAB9ACYP1A2TSHRSRR |
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 3 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 |