Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 9/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.56 |
| ▸ | MAPT | P10636 | 9/20 | 0.56 |
| ▸ | RECQL | P46063 | 5/20 | 0.56 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | MTOR | P42345 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.56 |
| ▸ | BLM | P54132 | 3/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | APEX1 | P27695 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11279633 | 0.98 | KDM4E (0.57) | SLC6A4TDP1KDM4EMAPTRECQL | |
| SCHEMBL11874652 | 0.84 | SLC6A4 (0.53) | SLC6A4TDP1KDM4EMAPTRECQL | |
| SCHEMBL11875188 | 0.83 | SLC6A4 (0.51) | SLC6A4TDP1KDM4EMAPTRECQL | |
| Dioxifedrine SCHEMBL250137 | 0.80 | TDP1 (0.61) | TDP1KDM4EMAPTRECQLLMNA | |
| SCHEMBL668000 | 0.80 | KDM4E (0.61) | TDP1KDM4EMAPTRECQLLMNA | |
| Dioxifedrine SCHEMBL364347 | 0.79 | KDM4E (0.62) | TDP1KDM4EMAPTRECQLLMNA | |
| SCHEMBL11879641 | 0.77 | SLC6A4 (0.46) | SLC6A4TDP1KDM4EMAPTLMNA | |
| Dioxethedrin SCHEMBL249560 | 0.76 | ADRB2 (0.58) | TDP1KDM4EMAPTRECQLLMNA | |
| SCHEMBL14290757 | 0.75 | TDP1 (0.70) | TDP1KDM4EMAPTRECQLLMNA | |
| Dioxethedrin SCHEMBL365011 | 0.75 | KDM4E (0.57) | TDP1KDM4EMAPTRECQLLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4336400-A | BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS | STERLING DRUG INC. (US) | 1982-06-22 | — | — | US | disclosed |
| US-RE30241-E | BRONCHODILATION, ADRENERGIC STIMULANTS | STERLING DRUG INC. (US) | 1980-03-25 | — | — | US | disclosed |