Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 10/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 10/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6664899 | 0.79 | CDK8 (0.44) | MEN1KMT2AALDH1A1MAPTPOLB | |
| SCHEMBL6663792 | 0.78 | ALDH1A1 (0.50) | MEN1KMT2AALDH1A1MAPTPOLB | |
| SCHEMBL6664309 | 0.77 | ALDH1A1 (0.52) | MEN1KMT2AALDH1A1MAPTLMNA | |
| SCHEMBL12180347 | 0.69 | DRD2 (0.56) | MEN1KMT2AALDH1A1MAPTLMNA | |
| SCHEMBL3424427 | 0.68 | KMT2A (0.58) | MEN1KMT2AALDH1A1MAPTMAPK1 | |
| SCHEMBL3982947 | 0.67 | MEN1 (0.56) | MEN1KMT2AALDH1A1MAPTPOLB | |
| SCHEMBL4981988 | 0.67 | MAPK1 (0.69) | MEN1KMT2APOLBMAPK1LMNA | |
| SCHEMBL14228670 | 0.66 | KMT2A (0.57) | MEN1KMT2AALDH1A1MAPTPOLB | |
| SCHEMBL13913434 | 0.66 | MAOB (0.50) | ALDH1A1 | |
| SCHEMBL5249717 | 0.66 | NR1H4 (0.65) | MEN1KMT2APOLBMAPK1LMNA |
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-1446110-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | Structural Bioinformatics Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003032916-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | STRUCTURAL BIOINFORMATICS INC. (US) | 2003-04-24 | — | — | WO | disclosed |