Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.37 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.34 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.34 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 9/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29224610 | 0.74 | ALDH1A1 (0.50) | ATMTDP1ALDH1A1HIF1AHTT | |
| SCHEMBL31090476 | 0.74 | TDP1 (0.40) | TDP1ALDH1A1HTTTSHRSMN1; SMN2 | |
| SCHEMBL6965668 | 0.71 | ALDH1A1 (0.45) | TDP1ALDH1A1HTTTSHRCYP3A4 | |
| SCHEMBL17395909 | 0.71 | TDP1 (0.51) | ATMTDP1ALDH1A1HIF1AHTT | |
| SCHEMBL29361654 | 0.70 | TDP1 (0.54) | ATMTDP1ALDH1A1HIF1AHTT | |
| SCHEMBL57498 | 0.70 | TDP1 (0.54) | ATMTDP1ALDH1A1HIF1AHTT | |
| SCHEMBL631947 | 0.70 | NSD2 (0.30) | ALDH1A1CASP6 | |
| SCHEMBL16746939 | 0.70 | — | — | |
| SCHEMBL18311461 | 0.70 | TDP1 (0.56) | ATMTDP1ALDH1A1HIF1AVCAM1 | |
| SCHEMBL10702744 | 0.69 | TXNRD1 (0.60) | ALDH1A1HTTCYP3A4SMN1; SMN2TXNRD1 |
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-2015075749-A1 | NOVEL PROCESSES FOR THE PREPARATION OF VEMURAFENIB | LAURUS LABS PRIVATE LIMITED (IN) | 2015-05-28 | — | — | WO | disclosed |
| WO-2015075749-A1 | NOVEL PROCESSES FOR THE PREPARATION OF VEMURAFENIB | LAURUS LABS PRIVATE LIMITED (IN) | 2015-05-28 | — | — | WO | disclosed |