Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 7/20 | 0.80 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.80 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.80 |
| ▸ | LMNA | P02545 | 3/20 | 0.80 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.80 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.80 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.80 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.80 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.80 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.80 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.80 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Propoxate SCHEMBL1817957 | 0.99 | GABRA1 (0.81) | GABRA1GABRB2CYP1A2LMNACYP3A4 | |
| Propoxate SCHEMBL10695613 | 0.98 | GABRA1 (0.80) | GABRA1GABRB2CYP1A2LMNACYP3A4 | |
| Amidate SCHEMBL17728700 | 0.90 | GABRA1 (0.97) | GABRA1GABRB2CYP1A2LMNACYP3A4 | |
| SCHEMBL4390789 | 0.89 | GABRA1 (0.77) | GABRA1GABRB2CYP1A2LMNACYP3A4 | |
| SCHEMBL28853680 | 0.89 | GABRA1 (0.77) | GABRA1GABRB2CYP1A2LMNACYP3A4 | |
| Amidate SCHEMBL39485 | 0.89 | GABRA1 (1.00) | GABRA1GABRB2CYP1A2LMNACYP3A4 | |
| Amidate SCHEMBL1817757 | 0.89 | GABRA1 (1.00) | GABRA1GABRB2CYP1A2LMNACYP3A4 | |
| Etomidate SCHEMBL39487 | 0.89 | GABRA1 (1.00) | GABRA1GABRB2CYP1A2LMNACYP3A4 | |
| S-Etomidate SCHEMBL39486 | 0.89 | GABRA1 (1.00) | GABRA1GABRB2CYP1A2LMNACYP3A4 | |
| SCHEMBL12786511 | 0.88 | GABRA1 (0.76) | GABRA1GABRB2CYP1A2LMNACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010138786-A1 | BIOREMEDIATION METHOD | SCHAFFNER IVAN RICHARD JR (US) | 2010-12-02 | — | — | WO | claimed |
| WO-2010138786-A1 | BIOREMEDIATION METHOD | SCHAFFNER IVAN RICHARD JR (US) | 2010-12-02 | — | — | WO | disclosed |