Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6038475 | 0.75 | MEN1 (0.44) | MEN1CYP2C9KMT2AAKR1C1OPRM1 | |
| SCHEMBL8253086 | 0.70 | TSHR (0.37) | GABRPGABRDGABRA1TSHRGABRB1 | |
| SCHEMBL3623734 | 0.69 | TSHR (0.39) | GABRPGABRDGABRA1TSHRGABRB1 | |
| SCHEMBL6862905 | 0.69 | TSHR (0.39) | GABRPGABRDGABRA1TSHRGABRB1 | |
| Bicarbonate SCHEMBL7575333 | 0.69 | MEN1 (0.60) | MEN1CYP2C9KMT2AAKR1C1OPRM1 | |
| SCHEMBL13185358 | 0.68 | TSHR (0.38) | CYP2C9GABRPGABRDGABRA1TSHR | |
| SCHEMBL3401991 | 0.68 | TSHR (0.42) | AKR1C1GABRPGABRDGABRA1TSHR | |
| SCHEMBL29403249 | 0.68 | TSHR (0.42) | GABRPGABRDGABRA1TSHRGABRB1 | |
| SCHEMBL23299696 | 0.67 | TSHR (0.37) | GABRPGABRDGABRA1TSHRGABRB1 | |
| SCHEMBL743693 | 0.66 | MEN1 (1.00) | MEN1CYP2C9KMT2AAKR1C1OPRM1 |
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-5175319-A | Antiprotozoa agent, useful for treating malaria, theileriosis, coccidiosis and prophylaxix | BURROUGHS WELLCOME CO. (US) | 1992-12-29 | — | — | US | disclosed |
| US-5053432-A | Antiprotozoa agents; treatment of malaria | BURROUGHS WELLCOME CO. (US) | 1991-10-01 | — | — | US | disclosed |
| EP-0123238-B1 | NAPHTHOQUINONE DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1987-06-10 | — | — | EP | disclosed |
| EP-0123238-A2 | Naphthoquinone derivatives | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-10-31 | — | — | EP | disclosed |