Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 3/20 | 0.41 |
| ▸ | ADH1A | P07327 | 3/20 | 0.41 |
| ▸ | ADH7 | P40394 | 3/20 | 0.41 |
| ▸ | ADH1C | P00326 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | AOX1 | Q06278 | 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 | |
|---|---|---|---|---|
| SCHEMBL11587786 | 0.80 | PPARD (0.48) | ADH1BADH1AADH7ADH1CEPHX1 | |
| SCHEMBL28593776 | 0.69 | AOX1 (0.40) | AOX1 | |
| SCHEMBL10583748 | 0.65 | PPARD (0.36) | — | |
| SCHEMBL11148632 | 0.64 | TSHR (0.56) | ADH1BADH1AADH7ADH1CEPHX1 | |
| SCHEMBL28388376 | 0.64 | TSHR (0.30) | — | |
| SCHEMBL28296635 | 0.64 | — | — | |
| SCHEMBL7535940 | 0.63 | — | — | |
| SCHEMBL28248892 | 0.63 | TSHR (0.36) | — | |
| SCHEMBL7286072 | 0.63 | TSHR (0.48) | ADH1BADH1AADH7ADH1CEPHX1 | |
| SCHEMBL28800107 | 0.61 | CYP1A2 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4072712-A | FROM ISOCYANATES, CATALYSIS | BAYER AKTIENGESELLSCHAFT (DT) | 1978-02-07 | — | — | US | claimed |
| US-4072712-A | FROM ISOCYANATES, CATALYSIS | BAYER AKTIENGESELLSCHAFT (DT) | 1978-02-07 | — | — | US | disclosed |