Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GNRHR | P30968 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | PDE6D | O43924 | 4/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL4473541 | 1.00 | TRPA1 (0.44) | TRPA1KDM4EAPOBEC3GTDP1GNRHR | |
| SCHEMBL4475033 | 0.84 | KMT2A (0.41) | TRPA1ALDH1A1HPGDRAB9AMAPT | |
| SCHEMBL5693221 | 0.81 | TRPA1 (0.33) | TRPA1KDM4ETDP1ALDH1A1HPGD | |
| SCHEMBL4474675 | 0.81 | TRPA1 (0.33) | TRPA1KDM4ETDP1ALDH1A1HPGD | |
| SCHEMBL4483188 | 0.80 | TRPA1 (0.46) | TRPA1KDM4EGNRHRALDH1A1HPGD | |
| SCHEMBL27528492 | 0.76 | TRPA1 (0.40) | TRPA1KDM4EGNRHRALDH1A1HPGD | |
| SCHEMBL6234847 | 0.76 | HPGD (0.55) | TDP1ALDH1A1HPGDRAB9A | |
| SCHEMBL4468989 | 0.76 | HPGD (0.55) | TDP1ALDH1A1HPGDRAB9A | |
| SCHEMBL6232598 | 0.76 | TRPA1 (0.39) | TRPA1KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL13708565 | 0.75 | TRPA1 (0.39) | TRPA1KDM4EGNRHRALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1528923-A1 | N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS | Aventis Pharma Deutschland GmbH (DE) | 2005-05-11 | — | — | EP | disclosed |
| WO-2003101450-A1 | N- ((3-OXO2, 3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYL) GUANIDINE DERIVATIVES AS NHE-1 INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2003-12-11 | — | — | WO | disclosed |