Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.40 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9051500 | 0.92 | PSMB1 (0.50) | ALDH1A1KDM4EBCHEACHEPSMB1 | |
| Hydrochloric Acid SCHEMBL7018187 | 0.91 | PSMB1 (0.49) | KDM4EBCHEACHEPSMB1PSMB5 | |
| Hydrochloric Acid SCHEMBL7015816 | 0.84 | BCHE (0.46) | SMN1; SMN2GAAALDH1A1KDM4EBCHE | |
| SCHEMBL7020967 | 0.83 | ALDH1A1 (0.54) | SMN1; SMN2GAAALDH1A1KDM4EBCHE | |
| SCHEMBL7016471 | 0.82 | TGM2 (0.40) | SMN1; SMN2ALDH1A1KDM4EMAPTKMT2A | |
| SCHEMBL7012693 | 0.80 | RXFP1 (0.42) | SMN1; SMN2ALDH1A1KDM4EMAPTKMT2A | |
| SCHEMBL7018636 | 0.80 | MAOA (0.46) | SMN1; SMN2ALDH1A1KDM4ETHRBMAPT | |
| Hydrochloric Acid SCHEMBL7016721 | 0.78 | BCHE (0.42) | SMN1; SMN2GAAALDH1A1KDM4EBCHE | |
| Hydrochloric Acid SCHEMBL7012383 | 0.77 | KCNH2 (0.51) | ALDH1A1KDM4EBCHEACHEKMT2A | |
| Hydrochloric Acid SCHEMBL7017180 | 0.76 | KCNH2 (0.44) | SMN1; SMN2ALDH1A1KDM4EBCHEACHE |
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 2 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 |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |