Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | ALDH1A2 | O94788 | 2/20 | 0.45 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 4/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7011002 | 0.83 | MEN1 (0.48) | MAOAMAOBALDH1A1LMNAKMT2A | |
| SCHEMBL7015468 | 0.82 | MAOA (0.48) | MAOAMAOBALDH1A1LMNAKMT2A | |
| SCHEMBL7015339 | 0.81 | KMT2A (0.68) | LMNAKMT2AMEN1DRD2TBXA2R | |
| SCHEMBL7013210 | 0.81 | MEN1 (0.53) | MAOAMAOBLMNAKMT2AMEN1 | |
| SCHEMBL7014224 | 0.80 | MAOA (0.47) | MAOAMAOBALDH1A1LMNAKMT2A | |
| SCHEMBL7012890 | 0.80 | TP53 (0.60) | MAOAMAOBALDH1A1ALDH1A2ALDH1A3 | |
| SCHEMBL7016571 | 0.80 | MAOA (0.54) | MAOAMAOBALDH1A1ALDH1A2ALDH1A3 | |
| SCHEMBL7018185 | 0.80 | MAOA (0.54) | MAOAMAOBALDH1A1LMNAKMT2A | |
| SCHEMBL9060596 | 0.79 | MAOA (0.52) | MAOAMAOBALDH1A1LMNAKMT2A | |
| SCHEMBL7011645 | 0.79 | ALDH1A1 (0.58) | MAOAMAOBALDH1A1ALDH1A2ALDH1A3 |
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 |