Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | GRIA1 | P42261 | 9/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.36 |
| ▸ | CHRNG | P07510 | 1/20 | 0.36 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.36 |
| ▸ | CHRND | Q07001 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
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 SCHEMBL9180101 | 1.00 | HDAC6 (0.43) | HDAC6GRIA1S1PR1S1PR3S1PR2 | |
| SCHEMBL525824 | 0.93 | GRIA1 (0.40) | HDAC6GRIA1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL523782 | 0.93 | GRIA1 (0.40) | HDAC6GRIA1CHRNB2CHRNB4CHRNA3 | |
| Trifluoroacetic Acid SCHEMBL9182174 | 0.91 | HDAC6 (0.43) | HDAC6GRIA1S1PR1S1PR3S1PR2 | |
| Trifluoroacetic Acid SCHEMBL9180467 | 0.91 | HDAC6 (0.43) | HDAC6GRIA1S1PR1S1PR3S1PR2 | |
| Trifluoroacetic Acid SCHEMBL9178322 | 0.88 | HDAC6 (0.47) | HDAC6GRIA1S1PR1S1PR3S1PR2 | |
| Trifluoroacetic Acid SCHEMBL9173135 | 0.88 | HDAC6 (0.47) | HDAC6GRIA1S1PR1S1PR3S1PR2 | |
| Trifluoroacetic Acid SCHEMBL9178577 | 0.87 | HDAC6 (0.46) | HDAC6GRIA1CHRNB2CHRNB4CHRNA3 | |
| Trifluoroacetic Acid SCHEMBL9172135 | 0.87 | HDAC6 (0.46) | HDAC6GRIA1CHRNB2CHRNB4CHRNA3 | |
| Trifluoroacetic Acid SCHEMBL8920686 | 0.87 | S1PR1 (0.40) | HDAC6GRIA1S1PR1S1PR3S1PR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5476870-A | Immunosuppressants | FOURNIER INDUSTRIE ET SANTE (FR) | 1995-12-19 | — | — | US | disclosed |