Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NFKBIA | P25963 | 1/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16347621 | 0.84 | TSHR (0.54) | ALDH1A1TSHRHPRT1TDP1CASP6 | |
| SCHEMBL6523809 | 0.83 | TSHR (0.67) | ALDH1A1TSHRCYP3A4TDP1MAPT | |
| SCHEMBL6517423 | 0.81 | TSHR (0.64) | ALDH1A1TSHRCYP3A4TDP1MAPT | |
| SCHEMBL6517417 | 0.81 | TSHR (0.64) | ALDH1A1TSHRCYP3A4TDP1MAPT | |
| SCHEMBL6517426 | 0.81 | TSHR (0.64) | ALDH1A1TSHRCYP3A4TDP1MAPT | |
| Zinc Ion SCHEMBL6513024 | 0.81 | TSHR (0.64) | ALDH1A1TSHRCYP3A4TDP1MAPT | |
| SCHEMBL6513018 | 0.81 | TSHR (0.64) | ALDH1A1TSHRCYP3A4TDP1MAPT | |
| M-Xylene SCHEMBL28888661 | 0.77 | TDP1 (0.52) | ALDH1A1TSHRCYP3A4TDP1ACHE | |
| SCHEMBL7836832 | 0.73 | ALDH1A1 (0.61) | ALDH1A1TSHRCYP3A4HPRT1TDP1 | |
| SCHEMBL7835220 | 0.72 | TSHR (0.66) | ALDH1A1TSHRCYP3A4HPRT1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0544732-A1 | IMPROVED PROCESS FOR PREPARATION OF PHOSPHORODICHLOROTHIOATES | WEHRENBERG, Peter K. (US) | 1993-06-09 | — | — | EP | disclosed |
| WO-1992003447-A1 | IMPROVED PROCESS FOR PREPARATION OF PHOSPHORODICHLOROTHIOATES | WEHRENBERG PETER K (US) | 1992-03-05 | — | — | WO | disclosed |