Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | LIPE | Q05469 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2128784 | 0.91 | TSHR (0.52) | TSHRALDH1A1IDO1TDP1KDM4E | |
| SCHEMBL11444701 | 0.89 | TSHR (0.50) | TSHRALDH1A1IDO1TDP1KDM4E | |
| SCHEMBL11444625 | 0.89 | TSHR (0.50) | TSHRALDH1A1IDO1TDP1KDM4E | |
| Ethylene SCHEMBL11652287 | 0.87 | TSHR (0.48) | TSHRALDH1A1IDO1TDP1KDM4E | |
| Tetramethylammonium Ion SCHEMBL7312089 | 0.84 | TSHR (0.41) | TSHRALDH1A1IDO1TDP1KDM4E | |
| SCHEMBL27617434 | 0.79 | TSHR (0.44) | TSHRALDH1A1IDO1TDP1KDM4E | |
| Tetramethylammonium Ion SCHEMBL7312083 | 0.79 | TSHR (0.44) | TSHRALDH1A1IDO1TDP1KDM4E | |
| SCHEMBL51153 | 0.78 | TSHR (0.52) | TSHRALDH1A1IDO1TDP1AGXT | |
| SCHEMBL8353262 | 0.77 | TSHR (0.46) | TSHRALDH1A1IDO1TDP1AGXT | |
| SCHEMBL15021274 | 0.76 | TSHR (0.50) | TSHRALDH1A1IDO1TDP1AGXT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0592367-A2 | Phosphono/biaryl substituted dipeptide derivatives | CIBA-GEIGY AG (CH) | 1994-04-13 | — | — | EP | disclosed |
| US-5294632-A | Diuretics and vasorelaxants | CIBA-GEIGY CORPORATION (US) | 1994-03-15 | — | — | US | disclosed |
| EP-0511940-A2 | Phosphono/biaryl substituted dipeptide derivatives | CIBA-GEIGY AG (CH) | 1992-11-04 | — | — | EP | disclosed |
| US-5155100-A | Treating cardiovascular disorders in mammals | CIBA-GEIGY CORPORATION (US) | 1992-10-13 | — | — | US | disclosed |