Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7014710 | 0.91 | TP53 (0.47) | MAPTCYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL7014213 | 0.91 | DRD2 (0.48) | DRD2TBXA2RMAPTCYP1A2CYP2D6 | |
| SCHEMBL7012515 | 0.88 | NLRP3 (0.43) | DRD2TBXA2RMAPTHDAC3HDAC4 | |
| SCHEMBL7014904 | 0.88 | LMNA (0.45) | DRD2TBXA2RMAPTCYP1A2CYP2D6 | |
| SCHEMBL7018370 | 0.85 | MEN1 (0.50) | DRD2TBXA2RMAPTCYP1A2CYP2D6 | |
| SCHEMBL7010850 | 0.85 | DRD2 (0.55) | DRD2TBXA2RMAPTCYP1A2CYP2D6 | |
| SCHEMBL7017967 | 0.83 | DAO (0.52) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8649589 | 0.81 | MEN1 (0.43) | DRD2TBXA2RMAPTHDAC3HDAC4 | |
| SCHEMBL7015339 | 0.80 | KMT2A (0.68) | DRD2TBXA2RMAPTCYP1A2CYP2D6 | |
| SCHEMBL7011506 | 0.80 | MEN1 (0.55) | MAPTCYP1A2CYP2D6CYP2C9CYP2C19 |
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 |