Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6728924 | 0.86 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7588878 | 0.78 | CYP1A2 (0.31) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5314779 | 0.72 | — | — | |
| SCHEMBL14839297 | 0.67 | CYP1A2 (0.34) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1819670 | 0.66 | — | — | |
| SCHEMBL11331559 | 0.66 | ALDH1A1 (0.36) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11747402 | 0.65 | HCAR2 (0.38) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11749631 | 0.65 | HCAR2 (0.38) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2071312 | 0.65 | — | — | |
| SCHEMBL6717922 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1150175-C | Derivatives of 1,3,4-oxadiazolone | ����˹�ж�-����˹˹������˾ | 2004-05-19 | — | — | CN | disclosed |
| EP-0747385-B1 | Prodrugs of paclitaxel derivatives | BRISTOL MYERS SQUIBB CO (US) | 2002-08-14 | — | — | EP | disclosed |
| CN-1289249-A | Derivatives of 1,3,4-oxadiazolone | BRISTOL MYERS SQUIBB CO (US) | 2001-03-28 | — | — | CN | disclosed |
| EP-0747385-A1 | Prodrugs of paclitaxel derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-11 | — | — | EP | disclosed |