Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL248601 | 0.85 | SMN1; SMN2 (0.44) | ACHETSHRHTR1ADRD2ALDH1A1 | |
| SCHEMBL29286690 | 0.83 | HTR1A (0.36) | ACHEHTR1ADRD2ALDH1A1HSD17B10 | |
| SCHEMBL27698905 | 0.81 | MAPK1 (0.44) | CYP3A4HTR1ADRD2ALDH1A1PGR | |
| SCHEMBL27611466 | 0.81 | HTR1A (0.39) | HTR1ADRD2ALDH1A1HSD17B10PGR | |
| SCHEMBL907658 | 0.78 | ACHE (0.61) | ACHETSHRCYP3A4PIK3CAALDH1A1 | |
| SCHEMBL23420829 | 0.78 | TDP1 (0.50) | TSHRALDH1A1GAAMAPK1KDM4E | |
| SCHEMBL25295423 | 0.77 | ATM (0.42) | ACHEALDH1A1HSD17B10PGRGAA | |
| SCHEMBL27767915 | 0.75 | ALDH1A1 (0.47) | CYP3A4ALDH1A1HSD17B10SMN1; SMN2LMNA | |
| SCHEMBL29131348 | 0.75 | MAPK1 (0.41) | HTR1ADRD2ALDH1A1HSD17B10PGR | |
| SCHEMBL11485248 | 0.75 | KMT2A (0.50) | ALDH1A1HSD17B10KDM4ESMN1; SMN2POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-101460508-A | Thiazolyl-dihydro-chinazoline | BOEHRINGER INGELHEIM INT (DE) | 2009-06-17 | — | — | CN | disclosed |
| CN-1568187-A | 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof | ICOS CORP (US) | 2005-01-19 | — | — | CN | disclosed |