Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.40 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6217754 | 0.79 | TLK2 (0.39) | CYP3A4IDO1TSHRALDH1A1GABRA1 | |
| SCHEMBL6638123 | 0.76 | CYP3A4 (0.60) | CYP3A4IDO1MKNK1MKNK2TSHR | |
| SCHEMBL940610 | 0.75 | IDO1 (0.59) | CYP3A4IDO1KMOHPGDSCYP2E1 | |
| SCHEMBL3008680 | 0.74 | RXRA (0.46) | CYP3A4IDO1ALDH1A1HPGDSMAPT | |
| SCHEMBL16517301 | 0.73 | NOTUM (0.48) | KMOMKNK1MKNK2ALDH1A1KDM4E | |
| SCHEMBL2593988 | 0.72 | IDO1 (0.42) | CYP3A4IDO1MAPTCYP2E1CYP2D6 | |
| SCHEMBL3181717 | 0.70 | MKNK1 (0.69) | KMOMKNK1MKNK2ALDH1A1KDM4E | |
| 4-Imidazolecarboxylic Acid SCHEMBL317725 | 0.70 | — | — | |
| SCHEMBL28134052 | 0.69 | MKNK1 (0.62) | KMOMKNK1MKNK2TSHRALDH1A1 | |
| 4-Imidazolecarboxylic Acid SCHEMBL28747764 | 0.69 | — | — |
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-2004014916-A1 | PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | claimed |
| WO-2004014916-A1 | PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |