Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TYK2 | P29597 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.38 |
| ▸ | KDM5C | P41229 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.38 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30227922 | 0.82 | ATR (0.46) | ALDH1A1KDM4ETSHRHSD17B10HPGD | |
| SCHEMBL15454465 | 0.82 | ALDH1A1 (0.43) | ALDH1A1KDM4ETSHRHSD17B10HPGD | |
| SCHEMBL56989 | 0.82 | ATR (0.46) | ALDH1A1KDM4ETSHRHSD17B10HPGD | |
| SCHEMBL28964614 | 0.82 | ATR (0.41) | ALDH1A1POLBATRLMNAKMT2A | |
| SCHEMBL844466 | 0.82 | CA12 (0.45) | ALDH1A1KDM4ETSHRHSD17B10HPGD | |
| SCHEMBL27373972 | 0.81 | CA12 (0.46) | ALDH1A1KDM4ETSHRHSD17B10HPGD | |
| SCHEMBL14352047 | 0.81 | CA12 (0.41) | ALDH1A1KDM4ETSHRHSD17B10HPGD | |
| SCHEMBL31214389 | 0.81 | CA12 (0.41) | ALDH1A1KDM4ETSHRHSD17B10HPGD | |
| SCHEMBL27532136 | 0.80 | TYK2 (0.37) | ALDH1A1KDM4ETYK2JAK2JAK1 | |
| SCHEMBL4231441 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KDM4ETSHRHSD17B10HPGD |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025090480-A1 | HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2025-05-01 | — | — | WO | disclosed |
| CN-110300754-A | Pyrrolo [1,2-b ] pyridazine derivatives | 吉利德科学公司 | 2019-10-01 | — | — | CN | disclosed |
| WO-2010038081-A2 | HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF | ASTRAZENECA AB (SE) | 2010-04-08 | — | — | WO | disclosed |
| EP-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |
| EP-1861393-A2 | PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS | AstraZeneca AB (SE) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006092599-A2 | PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS | ASTRAZENECA AB (SE) | 2006-09-08 | — | — | WO | disclosed |