Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 8/20 | 0.33 |
| ▸ | CA2 | P00918 | 8/20 | 0.33 |
| ▸ | CA9 | Q16790 | 7/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | CA3 | P07451 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA6 | P23280 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 2/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5880986 | 0.91 | MEN1 (0.41) | MEN1THRBHTTKMT2AMAPT | |
| SCHEMBL7624677 | 0.91 | MEN1 (0.41) | MEN1THRBHTTKMT2AMAPT | |
| Sulfuric Acid SCHEMBL1490955 | 0.90 | MEN1 (0.52) | MEN1THRBHTTKMT2AMAPT | |
| Sulfuric Acid SCHEMBL9773608 | 0.90 | MEN1 (0.52) | MEN1THRBHTTKMT2AMAPT | |
| Sulfuric Acid SCHEMBL10924188 | 0.90 | MEN1 (0.52) | MEN1THRBHTTKMT2AMAPT | |
| Trolamine SCHEMBL28958108 | 0.87 | MEN1 (0.55) | MEN1THRBHTTKMT2AMAPT | |
| Trolamine SCHEMBL10924191 | 0.87 | MEN1 (0.55) | MEN1THRBHTTKMT2AMAPT | |
| Trolamine SCHEMBL497343 | 0.87 | MEN1 (0.55) | MEN1THRBHTTKMT2AMAPT | |
| SCHEMBL29183005 | 0.86 | MEN1 (0.43) | MEN1THRBHTTKMT2AMAPT | |
| SCHEMBL28644984 | 0.85 | THRB (0.46) | MEN1THRBHTTKMT2AMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3350304-A1 | DIAZIRINES AS PHOTOCAGES WHICH RELEASE MOLECULES CONTAINING DOUBLE BONDS | Henkel AG & Co. KGaA (DE) | 2018-07-25 | — | — | EP | disclosed |
| WO-2017045891-A1 | DIAZIRINES AS PHOTOCAGES WHICH RELEASE MOLECULES CONTAINING DOUBLE BONDS | HENKEL AG & CO. KGAA (DE) | 2017-03-23 | — | — | WO | disclosed |
| EP-2173842-A2 | WASHING OR CLEANING AGENT HAVING POLYESTER-BASED SOIL-RELEASE POLYMER | Henkel AG & Co. KGaA (DE) | 2010-04-14 | — | — | EP | disclosed |
| WO-2009021813-A2 | WASHING OR CLEANING AGENT HAVING POLYESTER-BASED SOIL-RELEASE POLYMER | HENKEL AG & CO. KGAA (DE) | 2009-02-19 | — | — | WO | disclosed |