Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 4/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7902298 | 0.85 | P2RX7 (0.41) | P2RX7HSD11B1KMT2AIDO1ALDH1A1 | |
| SCHEMBL3107003 | 0.83 | PTPN1 (0.50) | P2RX7HSD11B1HDAC1KMT2APTPN1 | |
| SCHEMBL3110203 | 0.78 | HSP90AA1 (0.47) | HSD11B1HDAC1PTPN1IDO1 | |
| SCHEMBL7900928 | 0.78 | PTPN1 (0.46) | HSD11B1HDAC1KMT2APTPN1ALDH1A1 | |
| SCHEMBL7907727 | 0.78 | SLC6A7 (0.50) | HSD11B1KMT2APTPN1HPGDCYP1A2 | |
| SCHEMBL7908417 | 0.77 | KIT (0.40) | KMT2ACYP2C9ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3106971 | 0.76 | PTPN1 (0.45) | HSD11B1HDAC1KMT2APTPN1IDO1 | |
| SCHEMBL3227686 | 0.73 | CYP3A4 (0.48) | P2RX7KMT2APTPN1CYP2C9ALDH1A1 | |
| SCHEMBL7899679 | 0.73 | AKR1C3 (0.51) | KMT2AALDH1A1MAPTGAAALOX12 | |
| SCHEMBL13102505 | 0.71 | HDAC1 (0.43) | HSD11B1HDAC1KMT2APTPN1ALDH1A1 |
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-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |