Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY4R | P50391 | 3/20 | 0.37 |
| ▸ | NPY1R | P25929 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 3/20 | 0.34 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15124102 | 0.92 | EPHX1 (0.35) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL524546 | 0.92 | EPHX1 (0.35) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Trifluoroacetic Acid SCHEMBL8919832 | 0.90 | NPY4R (0.39) | NPY4RHDAC3HDAC4HDAC1HDAC7 | |
| Trifluoroacetic Acid SCHEMBL8919616 | 0.90 | NPY4R (0.39) | NPY4RHDAC3HDAC4HDAC1HDAC7 | |
| Trifluoroacetic Acid SCHEMBL8921920 | 0.90 | NPY4R (0.39) | NPY4RHDAC3HDAC4HDAC1HDAC7 | |
| Trifluoroacetic Acid SCHEMBL8920249 | 0.86 | NPY4R (0.38) | NPY4RNPY1RHDAC3HDAC4HDAC1 | |
| Trifluoroacetic Acid SCHEMBL8921713 | 0.86 | NPY4R (0.38) | NPY4RNPY1RHDAC3HDAC4HDAC1 | |
| Trifluoroacetic Acid SCHEMBL9179852 | 0.85 | HDAC6 (0.45) | NPY4RHDAC3HDAC4HDAC1HDAC7 | |
| Trifluoroacetic Acid SCHEMBL9172174 | 0.85 | HDAC6 (0.45) | NPY4RHDAC3HDAC4HDAC1HDAC7 | |
| Trifluoroacetic Acid SCHEMBL8923917 | 0.83 | NPY1R (0.36) | NPY1RHDAC3HDAC4HDAC1HDAC7 |
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-5637613-A | ANTITUMOR AGENT; IMMUNOSUPPRESSANTS | FOURNIER INDUSTRIE ET SANTE (FR) | 1997-06-10 | — | — | US | disclosed |