Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16519363 | 0.89 | NQO1 (0.46) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| SCHEMBL5779539 | 0.88 | USP2 (0.45) | NQO1TSHRSMN1; SMN2KDM4EMAPT | |
| SCHEMBL1951190 | 0.88 | CYP2C9 (0.50) | NQO1TSHRALDH1A1KDM4ECA12 | |
| SCHEMBL3776385 | 0.86 | LTA4H (0.48) | NQO1TSHRLTA4HALDH1A1SMN1; SMN2 | |
| SCHEMBL2329778 | 0.86 | KDM4E (0.46) | NQO1TSHRTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL2334467 | 0.86 | SCN4A (0.46) | NQO1ALDH1A1MAPT | |
| SCHEMBL2329756 | 0.86 | CYP1A2 (0.47) | NQO1TSHRTDP1NPC1 | |
| SCHEMBL17400983 | 0.86 | NQO1 (0.43) | NQO1TDP1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL20539545 | 0.86 | APP (0.44) | NQO1TSHRTDP1LTA4H | |
| SCHEMBL1193076 | 0.85 | LMNA (0.53) | TDP1LTA4HRELA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020151756-A1 | STABLE SOLID DISPERSIONS OF B-RAF KINASE DIMER INHIBITOR, METHODS OF PREPARATION, AND USES THEREFOR | BEIGENE, LTD. (KY) | 2020-07-30 | — | — | WO | disclosed |
| WO-2018140809-A1 | MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE | Arvinas, Inc. (US) | 2018-08-02 | — | — | WO | disclosed |
| WO-2016000599-A1 | C-BENZO FIVE-MEMBERED HETEROAROMATIC RING ARYL GLUCOSIDE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海阳帆医药科技有限公司 | 2016-01-07 | — | — | WO | disclosed |