Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.59 |
| ▸ | TBXA2R | P21731 | 5/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7015339 | 0.85 | KMT2A (0.68) | DRD2TBXA2RCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7018117 | 0.77 | TDP1 (0.64) | DRD2TBXA2RCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7013706 | 0.77 | KMT2A (0.68) | MAPTCA12CA1CA2CA9 | |
| SCHEMBL7015464 | 0.75 | KMT2A (0.60) | DRD2TBXA2RCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7014540 | 0.75 | DRD2 (0.52) | DRD2TBXA2RCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7013210 | 0.74 | MEN1 (0.53) | DRD2TBXA2RCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7012108 | 0.74 | MAOB (0.84) | MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL8646764 | 0.73 | L3MBTL1 (0.68) | CYP1A2CYP2C9CYP2C19CYP2D6MAPT | |
| SCHEMBL7018370 | 0.72 | MEN1 (0.50) | DRD2TBXA2RCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7019775 | 0.72 | MEN1 (0.58) | CYP1A2CYP2C9CYP2C19CYP2D6MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| US-5753664-A | ANTITUMOR AGENTS, PYRIMIDONES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |