Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.53 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.53 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.53 |
| ▸ | LTA4H | P09960 | 4/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 4/20 | 0.44 |
| ▸ | ACHE | P22303 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | GCGR | P47871 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7020967 | 0.92 | ALDH1A1 (0.54) | ALDH1A1PKMHTTSMN1; SMN2PSMB1 | |
| SCHEMBL7013586 | 0.83 | SMN1; SMN2 (0.65) | ALDH1A1PKMHTTSMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL7020207 | 0.83 | KCNH2 (0.50) | ALDH1A1PSMB1PSMB5PSMB2LTA4H | |
| SCHEMBL9051500 | 0.83 | PSMB1 (0.50) | ALDH1A1PSMB1PSMB5PSMB2LTA4H | |
| Hydrochloric Acid SCHEMBL7018187 | 0.82 | PSMB1 (0.49) | PSMB1PSMB5PSMB2LTA4HESR1 | |
| Hydrochloric Acid SCHEMBL7012383 | 0.82 | KCNH2 (0.51) | ALDH1A1PSMB1PSMB5PSMB2LTA4H | |
| SCHEMBL7015837 | 0.81 | SMN1; SMN2 (0.70) | ALDH1A1PKMHTTSMN1; SMN2LMNA | |
| SCHEMBL7016121 | 0.80 | SMN1; SMN2 (0.69) | ALDH1A1PKMHTTSMN1; SMN2LMNA | |
| SCHEMBL9052713 | 0.80 | SMN1; SMN2 (0.69) | ALDH1A1PKMHTTSMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL7017180 | 0.79 | KCNH2 (0.44) | ALDH1A1PKMHTTSMN1; SMN2PSMB1 |
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 |