Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.33 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.32 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | MMP12 | P39900 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
| ▸ | MMP14 | P50281 | 1/20 | 0.30 |
| ▸ | MMP16 | P51512 | 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 | |
|---|---|---|---|---|
| SCHEMBL3380094 | 1.00 | TP53 (0.36) | TP53SLC7A5ALDH1A1ADAMTS4GABRR1 | |
| SCHEMBL3382205 | 0.85 | TP53 (0.39) | TP53ALDH1A1RNPEP | |
| SCHEMBL3382208 | 0.85 | TP53 (0.39) | TP53ALDH1A1RNPEP | |
| SCHEMBL31129798 | 0.81 | TP53 (0.38) | TP53SLC7A5ALDH1A1ADAMTS4GABRR1 | |
| SCHEMBL3379312 | 0.81 | TP53 (0.38) | TP53SLC7A5ALDH1A1ADAMTS4GABRR1 | |
| SCHEMBL3379318 | 0.81 | TP53 (0.38) | TP53SLC7A5ALDH1A1ADAMTS4GABRR1 | |
| SCHEMBL3379940 | 0.80 | ALDH1A1 (0.36) | ALDH1A1RNPEP | |
| SCHEMBL3379942 | 0.80 | ALDH1A1 (0.36) | ALDH1A1RNPEP | |
| SCHEMBL17951879 | 0.79 | ADAMTS4 (0.37) | TP53SLC7A5ALDH1A1ADAMTS4GABRR1 | |
| SCHEMBL3378563 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | claimed |
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |