Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17255869 | 0.97 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2C9HIF1ATSHR | |
| SCHEMBL5056999 | 0.85 | TSHR (0.41) | CYP1A2CYP3A4CYP2C9HIF1ATSHR | |
| SCHEMBL48411 | 0.75 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C9HIF1ATSHR | |
| SCHEMBL1686176 | 0.75 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2C9HIF1ATSHR | |
| SCHEMBL8208939 | 0.74 | MEN1 (0.47) | CYP1A2CYP3A4CYP2C9HIF1ATSHR | |
| SCHEMBL11079305 | 0.73 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9HIF1ATSHR | |
| SCHEMBL1371544 | 0.73 | — | — | |
| SCHEMBL530290 | 0.73 | ALDH1A1 (0.30) | TSHRTDP1ALDH1A1 | |
| SCHEMBL1131877 | 0.73 | TSHR (0.37) | TSHRTDP1 | |
| SCHEMBL8887908 | 0.72 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C9HIF1ATSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0408017-B1 | DELIVERY SYSTEMS FOR QUATERNARY AND RELATED COMPOUNDS | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) | 1993-09-29 | — | — | EP | claimed |
| EP-0408017-A2 | Delivery systems for quaternary and related compounds | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) | 1991-01-16 | — | — | EP | claimed |
| US-5300494-A | Delivery systems for quaternary and related compounds | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1994-04-05 | — | — | US | disclosed |
| EP-0408017-B1 | DELIVERY SYSTEMS FOR QUATERNARY AND RELATED COMPOUNDS | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) | 1993-09-29 | — | — | EP | disclosed |
| EP-0408017-A2 | Delivery systems for quaternary and related compounds | UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) | 1991-01-16 | — | — | EP | disclosed |