Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP3 | P08254 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.39 |
| ▸ | GABRE | P78334 | 1/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7394534 | 0.87 | CYP1A2 (0.47) | MMP3ALDH1A1MAPTCYP3A4CYP1A2 | |
| SCHEMBL7398378 | 0.86 | CYP3A4 (0.46) | MMP3ALDH1A1MAPTHPGDCYP3A4 | |
| SCHEMBL7483747 | 0.83 | CYP3A4 (0.46) | MMP3ALDH1A1MAPTHPGDCYP3A4 | |
| SCHEMBL7990513 | 0.78 | MMP3 (0.67) | MMP3ALDH1A1MAPTCYP3A4KDM4E | |
| SCHEMBL17509445 | 0.77 | CYP3A4 (0.49) | ALDH1A1MAPTHPGDCYP3A4CYP1A2 | |
| SCHEMBL7594254 | 0.76 | CYP3A4 (0.34) | MMP3ALDH1A1MAPTHPGDCYP3A4 | |
| SCHEMBL7071011 | 0.75 | CYP3A4 (0.53) | ALDH1A1HPGDCYP3A4GABRPGABRD | |
| SCHEMBL8100905 | 0.75 | CYP3A4 (0.61) | ALDH1A1HPGDCYP3A4GABRPGABRD | |
| SCHEMBL28309323 | 0.75 | ALDH1A1 (0.57) | ALDH1A1MAPTHPGDCYP1A2CYP2C19 | |
| SCHEMBL2875436 | 0.73 | CYP3A4 (0.48) | ALDH1A1HPGDCYP3A4GABRPGABRD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6288261-B1 | DRUGS FOR INHIBITION OF ENZYMES | ABBOTT LABORATORIES | 2001-09-11 | — | — | US | disclosed |