Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5599461 | 0.80 | CYP1A2 (0.38) | TSHRCYP1A2CYP2A6ALDH1A1MAPT | |
| SCHEMBL6650647 | 0.77 | ACHE (0.38) | TSHRCYP1A2CYP2A6ALDH1A1TDP1 | |
| SCHEMBL29352216 | 0.77 | TSHR (0.65) | TSHRCYP1A2CYP2A6ALDH1A1MAPT | |
| SCHEMBL2951616 | 0.77 | TSHR (0.65) | TSHRCYP1A2CYP2A6ALDH1A1MAPT | |
| Lithium SCHEMBL30066819 | 0.75 | TSHR (0.62) | TSHRCYP1A2CYP2A6ALDH1A1MAPT | |
| SCHEMBL1451563 | 0.73 | TSHR (0.60) | TSHRCYP1A2CYP2A6ALDH1A1MAPT | |
| SCHEMBL2964750 | 0.72 | TSHR (0.46) | TSHRCYP1A2CYP2A6ALDH1A1MAPT | |
| SCHEMBL4269724 | 0.71 | CYP1A2 (0.36) | TSHRCYP1A2CYP2A6ACHE | |
| SCHEMBL216719 | 0.70 | HPRT1 (0.50) | TSHRCYP1A2CYP2A6ALDH1A1MAPT | |
| SCHEMBL6310662 | 0.70 | TSHR (0.56) | TSHRCYP1A2CYP2A6ALDH1A1MAPT |
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-20040010102-A1 | Bridged ylide group containning metal complexes | ROBERT BOSCH GMBH (DE) | 2004-01-15 | — | — | US | claimed |