Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL2991061 | 0.75 | MMP1 (0.30) | MMP1MMP2MMP3MMP8TSHR | |
| SCHEMBL2991063 | 0.75 | MMP1 (0.30) | MMP1MMP2MMP3MMP8TSHR | |
| SCHEMBL1281593 | 0.72 | TSHR (0.36) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL1281592 | 0.72 | TSHR (0.36) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL7363683 | 0.71 | KMT2A (0.40) | TSHRALDH1A1CYP2C19 | |
| SCHEMBL8059470 | 0.70 | TSHR (0.35) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL3201638 | 0.69 | — | — | |
| SCHEMBL5159992 | 0.67 | TSHR (0.36) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL14930544 | 0.67 | TSHR (0.32) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL14926787 | 0.65 | TSHR (0.31) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1979366-A2 | N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE | Yu, Ruey J. (US) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007082206-A2 | N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE | YU RUEY J (US) | 2007-07-19 | — | — | WO | disclosed |