Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Piperidolate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 5/20 | 0.51 |
| ▸ | CHRM3 known ✓ | P20309 | 5/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.98 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.98 |
| ▸ | HTT | P42858 | 1/20 | 0.70 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | THRB | P10828 | 3/20 | 0.54 |
| ▸ | BLM | P54132 | 3/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | GMNN | O75496 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Piperidolate SCHEMBL249131 | 0.99 | CYP2D6 (1.00) | CYP2D6CYP3A4CYP1A2HTTTP53 | |
| Piperidolate SCHEMBL28832658 | 0.99 | CYP2D6 (1.00) | CYP2D6CYP3A4CYP1A2HTTTP53 | |
| Piperidolate SCHEMBL437741 | 0.98 | CYP3A4 (1.00) | CYP2D6CYP3A4CYP1A2HTTTP53 | |
| Piperidolate SCHEMBL1649482 | 0.96 | CYP2D6 (0.95) | CYP2D6CYP3A4CYP1A2HTTTP53 | |
| SCHEMBL14128808 | 0.91 | CYP2D6 (0.86) | CYP2D6CYP3A4CYP1A2HTTTP53 | |
| SCHEMBL14125434 | 0.91 | CYP2D6 (0.86) | CYP2D6CYP3A4CYP1A2HTTTP53 | |
| SCHEMBL24671287 | 0.85 | CYP3A4 (0.76) | CYP2D6CYP3A4CYP1A2HTTTP53 | |
| SCHEMBL7588607 | 0.83 | CYP2D6 (0.73) | CYP2D6CYP3A4CYP1A2HTTTP53 | |
| SCHEMBL24671171 | 0.82 | CYP2D6 (1.00) | CYP2D6CYP3A4CYP1A2HTTTP53 | |
| SCHEMBL10517675 | 0.79 | CYP2D6 (0.70) | CYP2D6CYP3A4CYP1A2HTTTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-8454582-B2 | Methods and devices for the treatment of ocular conditions | SURMODICS, INC. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20110159073-A1 | METHODS AND DEVICES FOR THE TREATMENT OF OCULAR CONDITIONS | DEJUAN EUGENE | 2011-06-30 | — | — | US | disclosed |