Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.33 |
| ▸ | CASP2 | P42575 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4894322 | 0.76 | — | — | |
| SCHEMBL23354398 | 0.75 | HDAC3 (0.43) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL21340423 | 0.75 | CASP2 (0.50) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL11168910 | 0.75 | SOAT1 (0.46) | SOAT1CES2CES1HDAC3HDAC1 | |
| SCHEMBL21340132 | 0.73 | MEN1 (0.46) | CES2CES1HDAC3HDAC1HDAC2 | |
| SCHEMBL1000823 | 0.72 | — | — | |
| SCHEMBL2159350 | 0.72 | — | — | |
| SCHEMBL12809671 | 0.71 | CES1 (0.36) | SOAT1CES2CES1HDAC3HDAC1 | |
| SCHEMBL412525 | 0.71 | — | — | |
| SCHEMBL3641706 | 0.69 | — | — |
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-2000001698-A1 | PORPHYRIN DERIVATIVES AND THEIR USE IN PHOTODYNAMIC THERAPY AND MRI DIAGNOSIS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-01-13 | — | — | WO | disclosed |