Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | LTA4H | P09960 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | SI | P14410 | 1/20 | 0.46 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.46 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.43 |
| ▸ | TOP2A | P11388 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8636181 | 0.92 | CYP1A2 (0.59) | CYP1A2LTA4HGAAMGAMSI | |
| SCHEMBL1327984 | 0.88 | CYP1A2 (0.55) | CYP1A2LTA4HGAAMGAMSI | |
| SCHEMBL29454876 | 0.88 | CYP1A2 (0.49) | CYP1A2LTA4HGAAMGAMSI | |
| SCHEMBL23792105 | 0.87 | LTA4H (0.48) | CYP1A2LTA4HGAAMGAMSI | |
| SCHEMBL8851020 | 0.86 | CYP1A2 (0.53) | CYP1A2LTA4HGAAMGAMSI | |
| SCHEMBL16948556 | 0.86 | CYP1A2 (0.53) | CYP1A2LTA4HGAAMGAMSI | |
| SCHEMBL23792270 | 0.86 | CYP1A2 (0.48) | CYP1A2LTA4HGAAMGAMSI | |
| SCHEMBL11305128 | 0.86 | CYP1A2 (0.68) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL11076396 | 0.86 | CYP1A2 (0.68) | CYP1A2GAAMGAMSIMGAM2 | |
| Hydrochloric Acid SCHEMBL10758938 | 0.85 | CYP1A2 (0.52) | CYP1A2LTA4HGAAMGAMSI |
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 |
|---|---|---|---|---|---|---|---|
| EP-1339669-A2 | N-ALKYLATED GABA COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | UCB, S.A. (BE) | 2003-09-03 | — | — | EP | claimed |
| WO-2002042256-A2 | N-ALKYLATED GABA COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | UCB, S.A. (BE) | 2002-05-30 | — | — | WO | claimed |
| EP-1339669-A2 | N-ALKYLATED GABA COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | UCB, S.A. (BE) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002042256-A2 | N-ALKYLATED GABA COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | UCB, S.A. (BE) | 2002-05-30 | — | — | WO | disclosed |