Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 1/20 | 0.55 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.54 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.54 |
| ▸ | PSMB2 | P49721 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5311086 | 0.88 | SMN1; SMN2 (0.59) | ALDH1A1KDM4ESMN1; SMN2GAAPSMB1 | |
| SCHEMBL25376588 | 0.85 | KDM4E (0.60) | ALDH1A1KDM4ESMN1; SMN2GAANPC1 | |
| SCHEMBL4404318 | 0.84 | KDM4E (0.75) | ALDH1A1KDM4ESMN1; SMN2GAANPC1 | |
| SCHEMBL12632239 | 0.81 | SMN1; SMN2 (0.70) | ALDH1A1KDM4ESMN1; SMN2GAAPSMB1 | |
| SCHEMBL13952296 | 0.80 | HRH3 (0.67) | ALDH1A1CYP1A2CHRM2CHRM1HTR2A | |
| SCHEMBL13930969 | 0.80 | ALDH1A1 (0.62) | ALDH1A1KDM4ESMN1; SMN2GAANPC1 | |
| SCHEMBL991354 | 0.80 | ALDH1A1 (0.76) | ALDH1A1KDM4ESMN1; SMN2GAANPC1 | |
| SCHEMBL11937418 | 0.80 | SMN1; SMN2 (0.69) | ALDH1A1KDM4ESMN1; SMN2GAAPSMB1 | |
| SCHEMBL3378521 | 0.79 | SMN1; SMN2 (0.53) | ALDH1A1KDM4ESMN1; SMN2GAAPSMB1 | |
| SCHEMBL4455251 | 0.79 | ALDH1A1 (0.92) | ALDH1A1KDM4ESMN1; SMN2GAAPSMB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007025776-A2 | CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-03-08 | — | — | WO | disclosed |
| WO-2007025776-A2 | CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-03-08 | — | — | WO | disclosed |