Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 6/20 | 0.56 |
| ▸ | MAOA | P21397 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | LCK | P06239 | 1/20 | 0.53 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.51 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 1/20 | 0.50 |
| ▸ | CDK4 | P11802 | 1/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.50 |
| ▸ | CCND1 | P24385 | 1/20 | 0.50 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4674930 | 0.84 | MEN1 (0.70) | MAOBMAOACYP1A2MEN1KMT2A | |
| SCHEMBL12521459 | 0.83 | LMNA (0.60) | MAOBMAOACYP1A2MEN1KMT2A | |
| SCHEMBL28441803 | 0.81 | CYP1A2 (0.73) | MAOBMAOACYP1A2CYP1A1CYP19A1 | |
| SCHEMBL5987640 | 0.81 | MAOB (0.56) | MAOBMAOACYP1A2CYP1A1CYP19A1 | |
| SCHEMBL578947 | 0.81 | MAOB (0.75) | MAOBMAOACYP1A2CYP1A1CYP19A1 | |
| SCHEMBL24633440 | 0.79 | CYP1A2 (0.60) | MAOBMAOACYP1A2CYP1A1CYP19A1 | |
| SCHEMBL6308482 | 0.79 | LCK (0.77) | MAOBMAOACYP1A2CYP1A1CYP19A1 | |
| SCHEMBL3650797 | 0.79 | LCK (0.77) | MAOBMAOACYP1A2CYP1A1CYP19A1 | |
| SCHEMBL3650792 | 0.79 | LCK (0.77) | MAOBMAOACYP1A2CYP1A1CYP19A1 | |
| SCHEMBL6943499 | 0.78 | MEN1 (0.59) | MAOBMAOACYP1A2CYP1A1CYP19A1 |
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 |