Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL12505246 | 0.77 | GPR3 (0.48) | ABCG2GPR3LMNAEDNRAALDH1A1 | |
| SCHEMBL7499615 | 0.69 | HSD17B10 (0.37) | ABCG2KDM4ENPC1RAB9AHSD17B10 | |
| SCHEMBL2430925 | 0.68 | GPR3 (0.38) | GPR3KDM4EALDH1A1CYP1A2ADORA3 | |
| SCHEMBL7682940 | 0.68 | ALDH1A1 (0.40) | GPR3KDM4ERAB9AHSD17B10TSHR | |
| Hydrochloric Acid SCHEMBL4770447 | 0.68 | HSD17B10 (0.35) | ABCG2KDM4ENPC1RAB9AHSD17B10 | |
| SCHEMBL9404681 | 0.63 | ABCG2 (0.43) | ABCG2GPR3PKMTSHRITGB2 | |
| SCHEMBL8711 | 0.61 | — | — | |
| SCHEMBL4424499 | 0.61 | — | — | |
| SCHEMBL14417491 | 0.61 | ABCG2 (1.00) | ABCG2HSD17B10PKMTSHRHPGD | |
| SCHEMBL29353984 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0859763-A1 | DIHYDROPHTHALAZINE ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS | Bearsden Bio, Inc. (US) | 1998-08-26 | — | — | EP | disclosed |