Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 6/20 | 0.47 |
| ▸ | CA2 | P00918 | 6/20 | 0.47 |
| ▸ | CA9 | Q16790 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 3/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | BID | P55957 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1132302 | 0.78 | F7 (0.48) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL1132301 | 0.78 | F7 (0.48) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL1679236 | 0.75 | ADH1B (0.48) | KDM4EMAPTMEN1KMT2A | |
| SCHEMBL20535946 | 0.74 | CA12 (0.79) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL11604740 | 0.72 | CA12 (0.82) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL31532321 | 0.72 | BID (0.51) | TSHRKDM4EHSD17B10HTR1AMAPT | |
| SCHEMBL27541140 | 0.72 | HTR1A (0.58) | TSHRMPOHTR1ASLC6A4MAPT | |
| SCHEMBL11122843 | 0.71 | CA12 (0.83) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL11119051 | 0.71 | CA12 (0.83) | TSHRCYP2D6HIF1ACA12CA2 | |
| SCHEMBL5935029 | 0.71 | CA12 (0.83) | TSHRCYP2D6HIF1ACA12CA2 |
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-0081782-B1 | HYDROXYBENZYLAMINO-ARYL COMPOUNDS, PROCESS FOR PREPARING AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | MERCK & CO. INC. (US) | 1985-10-30 | — | — | EP | disclosed |
| EP-0081782-A1 | Hydroxybenzylamino-aryl compounds, process for preparing and pharmaceutical compositions containing the same | MERCK & CO. INC. (US) | 1983-06-22 | — | — | EP | disclosed |