Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 2/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.41 |
| ▸ | ENPP2 | Q13822 | 3/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 2/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29956269 | 0.83 | MGLL (0.48) | MGLLHSD17B1ENPP2TRPV6ORAI1 | |
| SCHEMBL29700447 | 0.83 | MGLL (0.52) | MGLLENPP2TRPV6ORAI1ORAI2 | |
| SCHEMBL3789433 | 0.83 | MGLL (0.52) | MGLLENPP2TRPV6ORAI1ORAI2 | |
| SCHEMBL29525231 | 0.79 | MGLL (0.48) | MGLLENPP2TRPV6ORAI1ORAI2 | |
| SCHEMBL206793 | 0.79 | MGLL (0.48) | MGLLENPP2TRPV6ORAI1ORAI2 | |
| SCHEMBL3790569 | 0.78 | MGLL (0.47) | MGLLENPP2TRPV6ORAI1ORAI2 | |
| SCHEMBL29427050 | 0.78 | MGLL (0.47) | MGLLENPP2TRPV6ORAI1ORAI2 | |
| SCHEMBL177582 | 0.78 | HTR3E (0.47) | MGLLENPP2TTRLMNA | |
| SCHEMBL29465748 | 0.78 | HTR3E (0.47) | MGLLENPP2TTRLMNA | |
| SCHEMBL28769064 | 0.78 | MGLL (0.47) | MGLLTRPV6ORAI1ORAI2ORAI3 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116731315-B | Boron-containing phthalonitrile resin and preparation method and application thereof | 中国科学院化学研究所 | 2024-06-21 | — | — | CN | claimed |
| CN-116731315-A | Boron-containing phthalonitrile resin and preparation method and application thereof | 中国科学院化学研究所 | 2023-09-12 | — | — | CN | claimed |
| CN-114989164-B | Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof | 詹森药业有限公司 | 2024-08-13 | — | — | CN | disclosed |
| CN-116731315-B | Boron-containing phthalonitrile resin and preparation method and application thereof | 中国科学院化学研究所 | 2024-06-21 | — | — | CN | disclosed |
| CN-116731315-A | Boron-containing phthalonitrile resin and preparation method and application thereof | 中国科学院化学研究所 | 2023-09-12 | — | — | CN | disclosed |
| CN-116323557-A | Cyclobutylamide monoacylglycerol lipase modulators | 詹森药业有限公司 | 2023-06-23 | — | — | CN | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| CN-114989164-A | Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof | 詹森药业有限公司 | 2022-09-02 | — | — | CN | disclosed |
| CN-110062761-B | Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof | 詹森药业有限公司 | 2022-05-13 | — | — | CN | disclosed |
| CN-112538004-A | Octafluorocyclopentenyl benzocyclobutene functionalized monomer and preparation and application thereof | 复旦大学 | 2021-03-23 | — | — | CN | disclosed |
| WO-2020247160-A1 | CONDENSED TRYCICLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2020-12-10 | — | — | WO | disclosed |
| US-20200361939-A1 | MODULATORS OF ALPHA-1 ANTITRYPSIN | VERTEX PHARMACEUTICALS INCORPORATED. | 2020-11-19 | — | — | US | disclosed |
| CN-111601810-A | Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase | 爱杜西亚药品有限公司 | 2020-08-28 | — | — | CN | disclosed |
| EP-2387573-B1 | 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS | ORGANON BIOSCIENCES NEDERLAND B V (NL) | 2013-07-31 | — | — | EP | disclosed |
| WO-2010081859-A1 | 6-PHENYL-LH-IMIDAZO [4, 5-C] PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS | N.V. ORGANON (NL) | 2010-07-22 | — | — | WO | disclosed |
| WO-2009010491-A1 | 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS | N.V. ORGANON (NL) | 2009-01-22 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20200361939-A1 | MODULATORS OF ALPHA-1 ANTITRYPSIN | SERPINA2, SERPINC1, SERPINA3 | MGLL 4504/4885HSD17B1 120/4885HSD17B2 495/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.