Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1237286 | 0.84 | TSHR (0.57) | TSHRCYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL28101148 | 0.82 | TSHR (0.55) | TSHRCYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL11122982 | 0.80 | TSHR (0.57) | TSHRTDP1TP53MEN1NR1I2 | |
| Trimethylammonium SCHEMBL28541031 | 0.77 | TSHR (0.48) | TSHRCYP3A4CYP2C9CYP2C19TDP1 | |
| SCHEMBL28743332 | 0.76 | TSHR (0.46) | TSHRCYP3A4TDP1TP53MEN1 | |
| SCHEMBL9007352 | 0.75 | TSHR (0.50) | TSHRCYP3A4TDP1TP53MEN1 | |
| SCHEMBL8104926 | 0.74 | TSHR (0.44) | TSHRTDP1TP53GAAALDH1A1 | |
| SCHEMBL16055939 | 0.73 | CYP3A4 (0.57) | TSHRCYP3A4ALDH1A1 | |
| SCHEMBL7048413 | 0.71 | ALDH1A1 (0.41) | TSHRCYP3A4ALDH1A1L3MBTL1 | |
| SCHEMBL6061683 | 0.69 | TSHR (0.43) | TSHRTDP1TP53ALDH1A1LMNA |
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-0699186-A1 | INDOLE DERIVATIVES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS | GLAXO S.p.A. (IT) | 1996-03-06 | — | — | EP | disclosed |
| WO-1994020465-A1 | INDOLE DERIVATIVES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS | GLAXO S.P.A. (IT) | 1994-09-15 | — | — | WO | disclosed |