Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 2/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11875721 | 0.98 | ALDH1A1 (0.50) | ALDH1A1THRBCYP3A4CA1CA2 | |
| SCHEMBL9769283 | 0.80 | THRB (0.50) | ALDH1A1THRBCYP3A4CA1CA2 | |
| SCHEMBL333570 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TSHRHSD17B10HPGD | |
| SCHEMBL8279321 | 0.78 | THRB (0.48) | ALDH1A1THRBCYP3A4CA1CA2 | |
| SCHEMBL31619409 | 0.77 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CA1CA2HSD17B10 | |
| SCHEMBL104060 | 0.77 | ALDH1A1 (0.54) | ALDH1A1TSHRHPGDMEN1MAPT | |
| SCHEMBL14060425 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRHSD17B10RECQL | |
| SCHEMBL4514781 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CA1HPGDALOX15KMT2A | |
| SCHEMBL7270831 | 0.75 | ALDH1A1 (0.52) | ALDH1A1TSHRHPGDMEN1MAPT | |
| SCHEMBL793421 | 0.75 | ALDH1A1 (0.52) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1658295-B1 | REGIOSELECTIVE SYNTHESIS OF CCI-779 | WYETH CORP (US) | 2007-06-20 | — | — | EP | disclosed |