Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MME | P08473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6301674 | 1.00 | RECQL (0.49) | RECQLMEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL7102965 | 0.81 | RECQL (0.53) | RECQLMEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL14652936 | 0.81 | RECQL (0.53) | RECQLMEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL7524000 | 0.81 | RECQL (0.53) | RECQLMEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL5892061 | 0.81 | RECQL (0.51) | RECQLMEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL1915837 | 0.80 | RECQL (0.69) | RECQLMEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL6307440 | 0.80 | RECQL (0.54) | RECQLMEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL5284839 | 0.80 | RECQL (0.54) | RECQLMEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL7524611 | 0.80 | RECQL (0.54) | RECQLMEN1KMT2ACYP3A4CYP2C9 | |
| SCHEMBL16449689 | 0.80 | RECQL (0.54) | RECQLMEN1KMT2ACYP3A4CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6906085-B2 | Tetrahydropyran derivatives as neurokinin receptor antagonists | MERCK SHARP & DOHME LTD. | 2005-06-14 | — | — | US | disclosed |