Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLK2 | Q86UE8 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 9/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | ECE1 | P42892 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6813952 | 0.79 | CYP3A4 (0.42) | CYP3A4ALDH1A1TSHRGABRA1NFKB1 | |
| SCHEMBL2564383 | 0.72 | IDO1 (0.47) | CYP3A4IDO1 | |
| SCHEMBL9275774 | 0.70 | ASIC3 (0.33) | CYP3A4IDO1MAPT | |
| SCHEMBL6638123 | 0.67 | CYP3A4 (0.60) | CYP3A4ALDH1A1TSHRIDO1KDM4E | |
| SCHEMBL940610 | 0.67 | IDO1 (0.59) | CYP3A4IDO1 | |
| SCHEMBL12263263 | 0.67 | MKNK1 (0.47) | TLK2ALDH1A1TSHRKDM4E | |
| SCHEMBL3008680 | 0.66 | RXRA (0.46) | CYP3A4ALDH1A1IDO1KDM4EMAPT | |
| SCHEMBL3141716 | 0.66 | IDO1 (0.44) | CYP3A4IDO1 | |
| 4-Imidazolecarboxylic Acid SCHEMBL317725 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL11257477 | 0.65 | IDO1 (0.43) | CYP3A4IDO1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1361873-A4 | MATRIX METALLOPROTEINASE INHIBITORS | WARNER LAMBERT CO (US) | 2005-10-26 | — | — | EP | disclosed |
| EP-1361873-A2 | MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002064080-A2 | MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LCC (US) | 2002-08-22 | — | — | WO | disclosed |