Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | GBA1 | P04062 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | AGER | Q15109 | 1/20 | 0.40 |
| ▸ | VDR | P11473 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12130688 | 0.86 | GBA1 (0.45) | CA2CA9CA1CA12CA7 | |
| SCHEMBL5831287 | 0.85 | GAA (0.45) | CA2CA9CA1CA12CA7 | |
| SCHEMBL16424498 | 0.85 | GAA (0.45) | CA2CA9CA1CA12CA7 | |
| SCHEMBL14778372 | 0.85 | GAA (0.45) | CA2CA9CA1CA12CA7 | |
| SCHEMBL17404667 | 0.85 | GAA (0.45) | CA2CA9CA1CA12CA7 | |
| SCHEMBL10932836 | 0.85 | GBA1 (0.46) | CA2CA9CA1CA12CA7 | |
| SCHEMBL5830519 | 0.85 | GBA1 (0.46) | CA2CA9CA1CA12CA7 | |
| SCHEMBL5245093 | 0.85 | GBA1 (0.46) | CA2CA9CA1CA12CA7 | |
| SCHEMBL18737643 | 0.85 | GAA (0.45) | CA2CA9CA1CA12CA7 | |
| SCHEMBL14778447 | 0.84 | CA2 (0.46) | CA2CA9CA1CA12CA7 |
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-6495606-B1 | ADMINISTERING S-((R)-2-(1-IMINOETHYLAMINO)PROPYL)-L-CYSTEINE | SMITHKLINE BEECHAM CORPORATION | 2002-12-17 | — | — | US | disclosed |
| US-5417960-A | Gadolinium complexes, magnetic resonance imaging | GUERBET S.A. (FR) | 1995-05-23 | — | — | US | disclosed |
| US-3931268-A | Methylhydrazinomethyl-substituted benzoic acid amides | HOFFMANN-LA ROCHE INC. (US) | 1976-01-06 | — | — | US | disclosed |