Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 11/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7148219 | 0.84 | TSHR (0.54) | TSHRCYP2C19ALDH1A1NR3C1PGR | |
| SCHEMBL28842673 | 0.74 | TSHR (0.45) | TSHRCYP2C19ALDH1A1NR3C1PGR | |
| SCHEMBL2676900 | 0.74 | KDM4E (0.46) | TSHRCYP2C19ALDH1A1NR3C1PGR | |
| SCHEMBL2586556 | 0.74 | NR3C1 (0.46) | TSHRCYP2C19ALDH1A1NR3C1PGR | |
| SCHEMBL11523001 | 0.74 | TSHR (0.45) | TSHRCYP2C19ALDH1A1NR3C1PGR | |
| SCHEMBL29013279 | 0.74 | NR3C1 (0.46) | TSHRCYP2C19ALDH1A1NR3C1PGR | |
| SCHEMBL9490739 | 0.74 | TSHR (0.45) | TSHRCYP2C19ALDH1A1NR3C1PGR | |
| SCHEMBL3006766 | 0.74 | TRPM8 (0.54) | TSHRCYP2C19ALDH1A1NR3C1PGR | |
| SCHEMBL22118149 | 0.74 | TSHR (0.47) | TSHRCYP2C19ALDH1A1NR3C1PGR | |
| SCHEMBL2963736 | 0.73 | TSHR (0.39) | TSHRCYP2C19ALDH1A1NR3C1PGR |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002509934-A | — | — | 2002-04-02 | — | — | JP | claimed |
| EP-1066297-A1 | PHOSPHINIC ACID DERIVATIVES | GUILFORD PHARMACEUTICALS INC. (US) | 2001-01-10 | — | — | EP | claimed |
| WO-1999050272-A1 | PHOSPHINIC ACID DERIVATIVES | GUILFORD PHARMACEUTICALS INC. (US) | 1999-10-07 | — | — | WO | claimed |