Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | DRD1 | P21728 | 2/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL350297 | 0.78 | ENPP2 (0.56) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL3506161 | 0.77 | ENPP2 (0.54) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL9212628 | 0.77 | ENPP2 (0.59) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL28879888 | 0.77 | ENPP2 (0.54) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL30001086 | 0.77 | OPRM1 (0.56) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL299759 | 0.77 | OPRM1 (0.56) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL7651106 | 0.75 | ENPP2 (0.52) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL25620321 | 0.75 | ENPP2 (0.52) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL21114413 | 0.75 | ENPP2 (0.62) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL118087 | 0.75 | MAOB (0.55) | ALDH1A1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018189199-A1 | PYRIDINIUM SALTS AND USES THEREOF | UNIVERSITY COLLEGE LONDON (GB) | 2018-10-18 | — | — | WO | claimed |
| WO-2018189199-A1 | PYRIDINIUM SALTS AND USES THEREOF | UNIVERSITY COLLEGE LONDON (GB) | 2018-10-18 | — | — | WO | disclosed |