Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9655710 | 1.00 | ABCG2 (0.43) | ABCG2KMT2ALMNAMAPTSMN1; SMN2 | |
| SCHEMBL9656100 | 0.88 | KDM4E (0.49) | ABCG2KMT2ALMNAMAPTSMN1; SMN2 | |
| SCHEMBL9656109 | 0.88 | KDM4E (0.49) | ABCG2KMT2ALMNAMAPTSMN1; SMN2 | |
| SCHEMBL9656194 | 0.85 | CYP1B1 (0.44) | ABCG2KMT2ALMNAMAPTMEN1 | |
| SCHEMBL9656211 | 0.85 | CYP1B1 (0.44) | ABCG2KMT2ALMNAMAPTMEN1 | |
| SCHEMBL9655756 | 0.81 | RAB9A (0.46) | KMT2ALMNAMAPTSMN1; SMN2KDM4E | |
| SCHEMBL9655749 | 0.81 | RAB9A (0.46) | KMT2ALMNAMAPTSMN1; SMN2KDM4E | |
| SCHEMBL9656710 | 0.81 | CYP1B1 (0.50) | ABCG2KMT2AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL9656720 | 0.81 | CYP1B1 (0.50) | ABCG2KMT2AMAPTSMN1; SMN2MEN1 | |
| SCHEMBL9654219 | 0.77 | SMN1; SMN2 (0.39) | KMT2AMAPTSMN1; SMN2HTTALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5084474-A | Antagonist of 5-hydroxytryptamine receptors on nerves and useful for treatment of psychotic disorders, anxiety, and nausea and vomiting, compounds of imidazole | GLAXO GROUP LIMITED (GB) | 1992-01-28 | — | — | US | disclosed |
| US-5019586-A | 5-Hydroxytryptamine Receptor Antagonists | GLAXO GROUP LIMITED | 1991-05-28 | — | — | US | disclosed |
| US-4918080-A | ANXIOLYTIC AGENTS, ANTIEMETICS | GLAXO GROUP LIMITED (GB) | 1990-04-17 | — | — | US | disclosed |
| EP-0291172-A1 | Ketone derivatives | GLAXO GROUP LIMITED (GB) | 1988-11-17 | — | — | EP | disclosed |