Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.56 |
| ▸ | DRD2 | P14416 | 2/20 | 0.52 |
| ▸ | DRD1 | P21728 | 2/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17028590 | 0.79 | ENPP2 (0.58) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL29713840 | 0.77 | ENPP2 (0.56) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL6341765 | 0.77 | ENPP2 (0.61) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL3150055 | 0.77 | ENPP2 (0.56) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL9176513 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL8873601 | 0.76 | IDO1 (0.62) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL28897624 | 0.76 | ENPP2 (0.54) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL1124859 | 0.76 | ENPP2 (0.54) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL30539527 | 0.76 | ENPP2 (0.54) | ENPP2DRD2DRD1TAAR1CYP3A4 | |
| SCHEMBL723832 | 0.75 | DRD2 (0.74) | ENPP2DRD2DRD1TAAR1CYP3A4 |
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-5936101-A | REACTING VINYL SULFIDE COMPOUND WITH OXYGEN AND LIGHT IN PRESENCE OF PHOTOSENSITIZER TO FORM INTERMEDIATE, REACTING WITH ELECTROPHILIC COMPOUND AND HYDROXYLIC COMPOUND TO REPLACE SULFIDE GROUP WITH OXIDE GROUP | LUMIGEN, INC. (US) | 1999-08-10 | — | — | US | disclosed |
| US-5625077-A | 1,2-dioxetanes | TROPIX, INC. (US) | 1997-04-29 | — | — | US | disclosed |