Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.57 |
| ▸ | KDM1A | O60341 | 2/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4432306 | 0.78 | HDAC9 (0.71) | HDAC9KDM1AAKR1C1KIF11HDAC4 | |
| SCHEMBL14214939 | 0.77 | OPRM1 (0.51) | HDAC9SIGMAR1 | |
| SCHEMBL5148001 | 0.77 | KDM1A (0.36) | HDAC9KDM1AKIF11AKR1B1MEN1 | |
| SCHEMBL15848044 | 0.75 | KDM1A (0.53) | HDAC9KDM1AAKR1B1MEN1KMT2A | |
| SCHEMBL28136912 | 0.75 | KDM1A (0.45) | HDAC9KDM1AKIF11AKR1B1MEN1 | |
| SCHEMBL20478649 | 0.75 | HDAC9 (0.48) | HDAC9KDM1AHCAR2 | |
| SCHEMBL14214940 | 0.74 | HDAC9 (0.47) | HDAC9KIF11MEN1KMT2ACYP3A4 | |
| SCHEMBL60004 | 0.73 | RAD52 (0.55) | HDAC9KDM1AAKR1C1AKR1B1MEN1 | |
| SCHEMBL10998922 | 0.73 | HDAC9 (0.46) | HDAC9KDM1AAKR1B1MEN1KMT2A | |
| SCHEMBL17316117 | 0.73 | HDAC9 (1.00) | HDAC9HDAC4HCAR2 |
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-2008049806-A1 | PIPERIDINE OR PIPERAZINE SUBSTITUTED TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID MTP INHIBITING COMPOUNDS | JANSSEN PHARMACEUTICA NV (BE) | 2008-05-02 | — | — | WO | disclosed |