Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CTSC | P53634 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13570515 | 0.89 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL13570392 | 0.83 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL2176484 | 0.83 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL27777396 | 0.82 | HDAC3 (0.51) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL13570579 | 0.82 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL5634616 | 0.82 | HDAC3 (0.46) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24057819 | 0.79 | LMNA (0.60) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL7305357 | 0.79 | LMNA (0.60) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL24056571 | 0.79 | LMNA (0.60) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC | |
| SCHEMBL8397188 | 0.78 | CTSC (0.49) | CYP3A4CYP2D6CYP1A2CYP2C19CTSC |
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 |
|---|---|---|---|---|---|---|---|
| EP-1268418-A1 | PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS | Applied Research Systems ARS Holding N.V. (AN) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001074769-A1 | PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2001-10-11 | — | — | WO | disclosed |