Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28464828 | 0.76 | ALDH1A1 (0.41) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL29232723 | 0.75 | TSHR (0.42) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL9686062 | 0.75 | ALDH1A1 (0.42) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL26973338 | 0.75 | TSHR (0.42) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| Acetic Acid SCHEMBL927068 | 0.73 | FFAR3 (0.50) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL1966966 | 0.73 | TSHR (0.47) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| Hydrogen Peroxide SCHEMBL20917732 | 0.71 | ALDH1A1 (0.46) | TSHRALDH1A1 | |
| Acetic Acid SCHEMBL4869952 | 0.71 | FFAR3 (0.47) | TSHRALDH1A1 | |
| SCHEMBL24497338 | 0.71 | ALDH1A1 (0.38) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL8394090 | 0.67 | TSHR (0.47) | TSHRALDH1A1CYP2D6CYP2C19HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5691311-A | Methods for coating invasive devices with inhibitors of thrombin | BIOGEN, INC. (US) | 1997-11-25 | — | — | US | disclosed |
| US-5433940-A | Synthetic molecules mimic action of hirudin by binding to both the low affinity anion-binding exosite and the catalytic site of thrombin | BIOGEN, INC. (US) | 1995-07-18 | — | — | US | disclosed |
| US-5196404-A | Hirudin mimic, polypeptide, hirulog; bivalirudin FDA Orange book listed patent | BIOGEN, INC. (US) | 1993-03-23 | — | — | US | disclosed |
| EP-0489070-A1 | NOVEL INHIBITORS OF THROMBIN. | BIOGEN INC (US) | 1992-06-10 | — | — | EP | disclosed |
| WO-1991002750-A1 | NOVEL INHIBITORS OF THROMBIN | BIOGEN, INC. (US) | 1991-03-07 | — | — | WO | disclosed |