Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.40 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.39 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | USP9X | Q93008 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5793415 | 0.84 | CTSL (0.43) | ALDH1A1KDM4EHPGDSMN1; SMN2GAA | |
| Trifluoroacetic Acid SCHEMBL5821153 | 0.83 | MEN1 (0.36) | ACACBKMT2AMEN1 | |
| Trifluoroacetic Acid SCHEMBL5794574 | 0.81 | CTSK (0.48) | HRH3 | |
| SCHEMBL8270725 | 0.78 | HRH3 (0.47) | ALDH1A1KDM4EHPGDSMN1; SMN2GAA | |
| SCHEMBL5791288 | 0.75 | MAPK14 (0.43) | NPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL5795046 | 0.73 | HRH4 (0.41) | HRH3 | |
| Trifluoroacetic Acid SCHEMBL5791015 | 0.72 | CTSL (0.54) | ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A | |
| Trifluoroacetic Acid SCHEMBL5790648 | 0.71 | CTSK (0.44) | HRH3 | |
| Trifluoroacetic Acid SCHEMBL5592645 | 0.70 | CTSS (0.47) | — | |
| Trifluoroacetic Acid SCHEMBL5592759 | 0.69 | CTSL (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | claimed |