Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDC25B | P30305 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8121522 | 0.86 | CDC25B (0.49) | CDC25BLMNAHTTNPC1CYP2C9 | |
| SCHEMBL18010707 | 0.83 | TSHR (0.47) | LMNAHTTRAB9APDE4DPTPN11 | |
| SCHEMBL22394732 | 0.80 | CDC25B (0.54) | CDC25BLMNAHTTCYP2C9NPSR1 | |
| SCHEMBL16333898 | 0.77 | PDE4D (0.46) | LMNAPDE4DKDM4EMRGPRX4 | |
| SCHEMBL18010709 | 0.77 | PDE4D (0.48) | LMNACYP2C9RAB9APDE4DKMT2A | |
| SCHEMBL13607858 | 0.75 | CA12 (0.70) | LMNAKDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL2552794 | 0.75 | KMT2A (0.51) | LMNAHTTCNR1CNR2PTPN11 | |
| SCHEMBL17712592 | 0.74 | PTPN1 (0.43) | CNR1CNR2PDE4DPTPN1KDM4E | |
| SCHEMBL31643582 | 0.73 | ALDH1A1 (0.71) | LMNAHTTCNR1CNR2NPC1 | |
| SCHEMBL124950 | 0.73 | ALDH1A1 (0.71) | LMNAHTTCNR1CNR2NPC1 |
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-3013339-A1 | LABELED PKG-1-ALPHA-BINDING COMPOUNDS AND THEIR USE IN IMAGING AND QUANTIFYING PAIN | The Trustees of Columbia University in the City of New York (US) | 2016-05-04 | — | — | EP | disclosed |
| WO-2014210167-A1 | LABELED PKG-1-ALPHA-BINDING COMPOUNDS AND THEIR USE IN IMAGING AND QUANTIFYING PAIN | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-12-31 | — | — | WO | disclosed |