Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.32 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | ITGAV | P06756 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | TNF | P01375 | 1/20 | 0.31 |
| ▸ | NOD2 | Q9HC29 | 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 | |
|---|---|---|---|---|
| SCHEMBL6199517 | 0.86 | HTR6 (0.38) | HTR6MMP1MMP9MMP13ALDH1A1 | |
| SCHEMBL7569774 | 0.85 | MEN1 (0.32) | HTR6ALDH1A1PKMSMN1; SMN2KMT2A | |
| SCHEMBL5771962 | 0.84 | MMP1 (0.34) | HTR6CASP1CASP3CASP7CASP8 | |
| SCHEMBL5771240 | 0.81 | MMP1 (0.33) | HTR6CASP1CASP3CASP7CASP8 | |
| SCHEMBL1602534 | 0.78 | ABCB1 (0.46) | ALDH1A1KMT2ACYP3A4 | |
| SCHEMBL5772049 | 0.78 | ABCB1 (0.46) | ALDH1A1KMT2ACYP3A4 | |
| SCHEMBL1600751 | 0.78 | ABCB1 (0.46) | ALDH1A1KMT2ACYP3A4 | |
| SCHEMBL1602713 | 0.75 | ABCB1 (0.45) | KMT2A | |
| SCHEMBL1601307 | 0.75 | ABCB1 (0.45) | KMT2A | |
| SCHEMBL5771487 | 0.74 | KMT2A (0.33) | CASP1CASP3CASP7CASP8MMP9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1637518-A2 | Inhibitors of aspartyl protease | Vertex Pharmaceuticals Incorporated (US) | 2006-03-22 | — | — | EP | disclosed |