Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.38 |
| ▸ | RECQL | P46063 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11279641 | 0.83 | SLC6A4 (0.59) | SLC6A4TDP1RECQLKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL11279633 | 0.81 | KDM4E (0.57) | SLC6A4TDP1RECQLKDM4EMAPT | |
| SCHEMBL11874652 | 0.78 | SLC6A4 (0.53) | SLC6A4SCN1ASCN2ASCN3ATDP1 | |
| SCHEMBL11879993 | 0.77 | TDP1 (0.45) | TDP1RECQLKDM4EMAPTLMNA | |
| SCHEMBL11877952 | 0.73 | ADRB2 (0.63) | TDP1RECQLKDM4EMAPTLMNA | |
| SCHEMBL11879641 | 0.71 | SLC6A4 (0.46) | SLC6A4SCN1ASCN2ASCN3ATDP1 | |
| SCHEMBL11880944 | 0.69 | ADRB2 (0.69) | TDP1KDM4EMAPTLMNATSHR | |
| SCHEMBL769884 | 0.69 | SLC6A4 (1.00) | SLC6A4SCN1ASCN2ASCN3ATDP1 | |
| SCHEMBL11881824 | 0.69 | ESR1 (0.45) | SLC6A4TDP1RECQLKDM4EMAPT | |
| Erythro-Hydrobupropion SCHEMBL3320155 | 0.68 | SLC6A4 (0.65) | SLC6A4SCN1ASCN2ASCN3ATDP1 |
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-3996383-A | 3-Alkylamino-α-aminomethyl-4-hydroxybenzyl alcohols with β-adrenergic stimulant activity | SMITHKLINE CORPORATION (US) | 1976-12-07 | — | — | US | disclosed |
| US-3943173-A | 3-Alkylamino- alpha-aminomethyl-4-hydroxybenzyl alcohols | SMITHKLINE CORPORATION (US) | 1976-03-09 | — | — | US | disclosed |