Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CTH | P32929 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1489120 | 0.80 | — | — | |
| SCHEMBL3830009 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TSHRHRH4TDP1CYP1A2 | |
| SCHEMBL11809610 | 0.78 | CA12 (0.45) | ALDH1A1TSHRDNM1CA1CA2 | |
| SCHEMBL6448530 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRHRH4TDP1CYP1A2 | |
| SCHEMBL14628410 | 0.78 | ALDH1A1 (0.35) | ALDH1A1TSHRHRH4TDP1CYP1A2 | |
| Hydrochloric Acid SCHEMBL9686250 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TSHRHRH4TDP1CYP1A2 | |
| Bromide SCHEMBL9290863 | 0.76 | HRH4 (0.50) | ALDH1A1TSHRHRH4TDP1CYP1A2 | |
| SCHEMBL1964829 | 0.76 | NPSR1 (0.40) | ALDH1A1HSD17B10CYP2C9 | |
| SCHEMBL9565338 | 0.75 | ALDH1A1 (0.48) | ALDH1A1TSHRHRH4TDP1CYP1A2 | |
| Bromide SCHEMBL9290760 | 0.75 | HRH4 (0.48) | ALDH1A1TSHRHRH4TDP1CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5145975-A | Parasiticides | THE ROCKEFELLER UNIVERSITY (US) | 1992-09-08 | — | — | US | disclosed |
| US-4942170-A | PARASITICIDES, ANTIPROTOZOA AGENTS | THE ROCKEFELLER UNIVERSITY (US) | 1990-07-17 | — | — | US | disclosed |
| EP-0355279-A2 | Use of nitrogen-containing compounds as antiparasitics, and compositions containing them | DRUG & VACCINE DEVELOPMENT CORPORATION (US) | 1990-02-28 | — | — | EP | disclosed |