Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 11/20 | 0.60 |
| ▸ | TSHR | P16473 | 6/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | USP2 | O75604 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
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 SCHEMBL9688641 | 0.98 | CYP2D6 (0.59) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL9851556 | 0.93 | CYP2D6 (0.58) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL18389865 | 0.93 | CYP2D6 (0.60) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL18389864 | 0.93 | CYP2D6 (0.64) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL5243003 | 0.91 | CYP2D6 (0.67) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL1732446 | 0.86 | CYP2D6 (0.65) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL16349557 | 0.85 | CYP2D6 (0.59) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9689675 | 0.84 | CYP2D6 (0.58) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL18712907 | 0.84 | CYP2D6 (0.61) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL9851609 | 0.83 | CYP2D6 (0.58) | CYP2D6TSHRCYP3A4MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7378411-B2 | Substituted thienopyrimidinones as a mitotic kinesin inhibitor | MERCK & CO., INC. (US) | 2008-05-27 | — | — | US | disclosed |
| US-7262187-B2 | Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor | MERCK & CO., INC. (US) | 2007-08-28 | — | — | US | disclosed |
| US-7244723-B2 | Substituted furopyrimidinones as a mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2007-07-17 | — | — | US | disclosed |