Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | PTPRF | P10586 | 1/20 | 0.44 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL335044 | 0.86 | LOXL2 (0.69) | POLBLOXL2ALDH1A1TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL115247 | 0.84 | LOXL2 (0.67) | POLBLOXL2ALDH1A1TSHRKMT2A | |
| Hydrochloric Acid SCHEMBL27576463 | 0.84 | LOXL2 (0.67) | POLBLOXL2ALDH1A1TSHRKMT2A | |
| SCHEMBL19874575 | 0.84 | LOXL2 (0.67) | POLBLOXL2ALDH1A1TSHRCYP2C19 | |
| Bromide SCHEMBL11379599 | 0.84 | LOXL2 (0.67) | POLBLOXL2ALDH1A1TSHRCYP2C19 | |
| Ammonia Solution, Strong SCHEMBL21518028 | 0.84 | LOXL2 (0.67) | POLBLOXL2ALDH1A1TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL1820969 | 0.83 | LOXL2 (0.64) | POLBLOXL2ALDH1A1TSHRKMT2A | |
| SCHEMBL6632472 | 0.79 | POLB (0.79) | POLBLOXL2ALDH1A1MAPTTSHR | |
| SCHEMBL20303796 | 0.77 | HPGD (0.58) | LOXL2ALDH1A1MAPTTSHRKCNJ1 | |
| Phenethylamine SCHEMBL20534914 | 0.77 | LOXL2 (0.73) | LOXL2CYP1A2CYP2C19SMN1; SMN2 |
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-2018189199-A1 | PYRIDINIUM SALTS AND USES THEREOF | UNIVERSITY COLLEGE LONDON (GB) | 2018-10-18 | — | — | WO | disclosed |