Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27643039 | 0.83 | KMT2A (0.44) | KMT2AALDH1A1L3MBTL1TDP1PTGS2 | |
| SCHEMBL28804124 | 0.83 | L3MBTL1 (0.57) | KMT2AALDH1A1L3MBTL1TDP1PARP1 | |
| SCHEMBL28804126 | 0.83 | L3MBTL1 (0.57) | KMT2AALDH1A1L3MBTL1TDP1PARP1 | |
| SCHEMBL28415694 | 0.81 | ALOX5 (0.51) | KMT2AL3MBTL1ALOX5TDP1PARP1 | |
| SCHEMBL12327035 | 0.78 | ALOX5 (0.61) | L3MBTL1ALOX5TDP1PTGS2PTGS1 | |
| SCHEMBL1130219 | 0.77 | L3MBTL1 (0.41) | KMT2AL3MBTL1TNFPDE4APDE4B | |
| SCHEMBL28690146 | 0.76 | CES2 (0.40) | TSHR | |
| SCHEMBL28690149 | 0.76 | CES2 (0.40) | TSHR | |
| SCHEMBL20362018 | 0.75 | ADRB1 (0.43) | KMT2AL3MBTL1TNF | |
| 1,3,5-Trimethoxybenzene SCHEMBL28245468 | 0.75 | ALDH1A1 (0.65) | KMT2AALDH1A1PDE4APDE4BPDE4C |
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-2022178428-A9 | TARGETED BIFUNCTIONAL DEGRADERS AND METHODS USING SAME | YALE UNIVERSITY (US) | 2023-08-17 | — | — | WO | disclosed |
| EP-2598170-A2 | DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO | Smartcells, Inc. (US) | 2013-06-05 | — | — | EP | disclosed |
| WO-2012015681-A2 | DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO | SMARTCELLS, INC. (US) | 2012-02-02 | — | — | WO | disclosed |