Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.64 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.44 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9151166 | 0.95 | SRD5A2 (0.59) | SRD5A2RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL7264267 | 0.90 | SRD5A2 (0.55) | SRD5A2RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL9496067 | 0.84 | SRD5A2 (0.79) | SRD5A2RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL7871642 | 0.81 | SRD5A2 (0.70) | SRD5A2RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL21550015 | 0.81 | ALDH1A1 (0.46) | SRD5A2RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL1744667 | 0.81 | SRD5A2 (0.57) | SRD5A2RAB9AMAPTALDH1A1MAPK1 | |
| SCHEMBL7266114 | 0.81 | CYP4F2 (0.54) | SRD5A2RAB9AMAPTALDH1A1MAPK1 | |
| SCHEMBL7011648 | 0.80 | KMT2A (0.57) | MAPTALDH1A1CYP2C9KMT2APOLB | |
| SCHEMBL8437570 | 0.80 | SRD5A2 (0.96) | SRD5A2RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL8684116 | 0.80 | SRD5A2 (0.72) | SRD5A2RAB9AMAPTSMN1; SMN2ALDH1A1 |
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 |