Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT1 | P54687 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.39 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3830874 | 1.00 | BCAT1 (0.47) | BCAT1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL722599 | 0.79 | BCAT1 (0.46) | BCAT1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL31215190 | 0.79 | BCAT1 (0.46) | BCAT1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL6261806 | 0.78 | BCAT1 (0.44) | BCAT1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| Water SCHEMBL27820714 | 0.78 | BCAT1 (0.44) | BCAT1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| Guanidine SCHEMBL5918484 | 0.77 | BCAT1 (0.41) | BCAT1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL106041 | 0.77 | BCAT1 (0.42) | BCAT1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL28496246 | 0.75 | BCAT1 (0.41) | BCAT1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| Tetramethylammonium Ion SCHEMBL5422588 | 0.74 | BCAT1 (0.42) | BCAT1ALDH1A1KMT2ASMN1; SMN2TSHR | |
| SCHEMBL6365074 | 0.73 | HTR6 (0.52) | ALDH1A1KMT2ASMN1; SMN2GAAHTR6 |
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-2099757-A2 | SULFOXIMINES AS KINASE INHIBITORS | Allergan, Inc. (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008061236-A2 | SULFOXIMINES AS KINASE INHIBITORS | ALLERGAN, INC. (US) | 2008-05-22 | — | — | WO | disclosed |