Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | TPMT | P51580 | 1/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL26447172 | 0.81 | RAB9A (0.50) | MEN1KMT2AALDH1A1MAPK1 | |
| SCHEMBL19523880 | 0.81 | HTT (0.43) | ACHEMEN1GAAKMT2AALDH1A1 | |
| SCHEMBL14201716 | 0.78 | ALDH1A1 (0.52) | TSHRALDH1A1HPGD | |
| SCHEMBL22449752 | 0.77 | APP (0.52) | CA2CA12CA1CA7CA9 | |
| SCHEMBL7899795 | 0.74 | CYP3A4 (0.56) | CA9ACHECYP1A2CYP3A4CYP1A1 | |
| SCHEMBL25416873 | 0.70 | PRKAB2 (0.42) | — | |
| SCHEMBL1402508 | 0.70 | CA2 (0.56) | CA2CA12CA1CA7CA9 | |
| SCHEMBL10224469 | 0.70 | CA2 (0.61) | CA2CA12CA1CA7CA9 | |
| SCHEMBL23192517 | 0.70 | CYP1A2 (0.54) | TSHRCYP1A2CYP1A1CYP1B1MEN1 | |
| SCHEMBL23158674 | 0.69 | CA2 (0.39) | CA2CA12CA1CA7CA9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019209948-A9 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS, INC. (US) | 2020-01-02 | — | — | WO | disclosed |
| WO-2018081167-A1 | COMPOUNDS AND USES THEREOF | YUMANITY THERAPEUTICS (US) | 2018-05-03 | — | — | WO | disclosed |
| WO-2016006706-A1 | PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYL METHYL GROUP | 第一三共株式会社 | 2016-01-14 | — | — | WO | disclosed |
| WO-2014004863-A2 | COMPOUNDS, COMPOSITIONS, AND THERAPEUTIC USES THEREOF | ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) | 2014-01-03 | — | — | WO | disclosed |
| WO-2009099801-A1 | PYRIDO [4, 3-D] PYRIMIDINONE DERIVATIVES AS KINASE INHIBITORS | IRM LLC (BM) | 2009-08-13 | — | — | WO | disclosed |
| WO-2005040110-A1 | PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS | ELI LILLY AND COMPANY (US) | 2005-05-06 | — | — | WO | disclosed |