Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL7419364 | 0.89 | CYP3A4 (0.37) | CYP3A4ALDH1A1ADRB2ADRB1ADRB3 | |
| SCHEMBL7420586 | 0.86 | CA1 (0.37) | CA1CA2 | |
| SCHEMBL5697636 | 0.83 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL3360879 | 0.81 | CYP3A4 (0.42) | CYP3A4ALDH1A1ADRB2ADRB1ADRB3 | |
| SCHEMBL7416108 | 0.80 | CA1 (0.39) | CA1CA2 | |
| SCHEMBL11468105 | 0.80 | — | — | |
| SCHEMBL1157676 | 0.78 | — | — | |
| SCHEMBL7005302 | 0.75 | — | — | |
| SCHEMBL30712214 | 0.74 | ADRB2 (0.39) | CYP3A4ALDH1A1ADRB2ADRB1ADRB3 | |
| SCHEMBL29018648 | 0.72 | CA1 (0.43) | CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1358154-A2 | PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES | Abbott Laboratories (US) | 2003-11-05 | — | — | EP | disclosed |
| WO-2001028996-A2 | PYRROLIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF NEURAMINIDASES | ABBOTT LABORATORIES (US) | 2001-04-26 | — | — | WO | disclosed |