Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1A | P07327 | 5/20 | 0.38 |
| ▸ | ADH1B | P00325 | 3/20 | 0.38 |
| ▸ | ADH7 | P40394 | 3/20 | 0.38 |
| ▸ | ADH1C | P00326 | 3/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11397519 | 0.91 | ADH1A (0.43) | ADH1AADH1BADH7ADH1CEPHX1 | |
| SCHEMBL24795424 | 0.90 | — | — | |
| SCHEMBL27392511 | 0.86 | ADH1A (0.44) | ADH1AADH1BADH7ADH1CEPHX1 | |
| SCHEMBL11647784 | 0.82 | ADH1C (0.50) | ADH1AADH1BADH7ADH1CEPHX1 | |
| SCHEMBL602411 | 0.78 | ADH1A (0.38) | ADH1AADH1BADH7ADH1CEPHX1 | |
| SCHEMBL3410842 | 0.77 | — | — | |
| SCHEMBL28097039 | 0.70 | — | — | |
| SCHEMBL8523736 | 0.64 | ADH1C (0.41) | ADH1AADH1BADH7ADH1CEPHX1 | |
| SCHEMBL612179 | 0.63 | — | — | |
| SCHEMBL1993183 | 0.63 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114656429-A | Anti-inflammatory analgesic compound and application thereof | 江苏新元素医药科技有限公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-1063447-C | Condensed thiazine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-03-21 | — | — | CN | disclosed |
| CN-1163894-A | Condensed thiazine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-11-05 | — | — | CN | disclosed |
| US-5496822-A | Compounds and methods for treating tumors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| EP-0438261-A2 | Condensed heterocyclic glutamic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-07-24 | — | — | EP | disclosed |
| EP-0434426-A1 | Condensed heterocyclic compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-06-26 | — | — | EP | disclosed |