Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 6/20 | 0.35 |
| ▸ | CTSL | P07711 | 4/20 | 0.33 |
| ▸ | CTSB | P07858 | 4/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | CTSH | P09668 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL14537236 | 0.78 | CTSK (0.45) | CYP1A2CTSKCTSLCTSBCTSH | |
| SCHEMBL22907250 | 0.78 | — | — | |
| SCHEMBL6544345 | 0.77 | CA1 (0.30) | — | |
| SCHEMBL17484527 | 0.76 | CYP1A2 (0.43) | CYP1A2 | |
| SCHEMBL6205465 | 0.76 | CTSK (0.37) | CYP1A2CTSKCTSLCTSBCTSH | |
| SCHEMBL6205463 | 0.76 | CTSK (0.37) | CYP1A2CTSKCTSLCTSBCTSH | |
| SCHEMBL10433960 | 0.76 | CTSK (0.33) | CYP1A2CTSKCTSLCTSBCTSH | |
| SCHEMBL20211919 | 0.76 | CPN1 (0.40) | — | |
| SCHEMBL5654948 | 0.76 | ADH1B (0.41) | ADH1BADH1CADH1AADH4ADH7 | |
| SCHEMBL11239152 | 0.75 | CTSK (0.42) | CYP1A2CTSKCTSLCTSBCTSH |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021011913-A1 | TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE | ARVINAS OPERATIONS, INC. (US) | 2021-01-21 | — | — | WO | disclosed |
| EP-0506468-B1 | N-substituted 4-phenyl-piperidine opioid-antagonists | LILLY CO ELI (US) | 1995-04-26 | — | — | EP | disclosed |
| US-5270328-A | Peripherally selective piperidine opioid antagonists | ELI LILLY AND COMPANY (US) | 1993-12-14 | — | — | US | disclosed |
| US-5159081-A | INTERMEDIATES OF PERIPHERALLY SELECTIVE N-CARBONYL-3,4,4-TRISUBSTITUTED PIPERIDINE OPIOID ANTAGONISTS | ELI LILLY AND COMPANY (US) | 1992-10-27 | — | — | US | disclosed |
| EP-0506468-A1 | N-substituted 4-phenyl-piperidine opioid-antagonists | ELI LILLY AND COMPANY (US) | 1992-09-30 | — | — | EP | disclosed |