Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.35 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 7/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10338142 | 0.84 | CYP2A6 (0.40) | CYP2A6ALDH1A1GLASMN1; SMN2TP53 | |
| SCHEMBL11633784 | 0.80 | ALDH1A1 (0.48) | ALDH1A1GLASMN1; SMN2TP53CYP3A4 | |
| SCHEMBL29950589 | 0.78 | CYP2A6 (0.54) | CYP2A6ALDH1A1SMN1; SMN2TDP1IMPDH2 | |
| SCHEMBL10505249 | 0.78 | ALDH1A1 (0.46) | ALDH1A1GLASMN1; SMN2TP53CYP3A4 | |
| SCHEMBL11064847 | 0.78 | ALDH1A1 (0.46) | ALDH1A1GLASMN1; SMN2TP53CYP3A4 | |
| SCHEMBL28937430 | 0.76 | ALDH1A1 (0.60) | ALDH1A1GLASMN1; SMN2TP53CYP3A4 | |
| SCHEMBL1034135 | 0.76 | ALDH1A1 (0.60) | ALDH1A1GLASMN1; SMN2TP53CYP3A4 | |
| SCHEMBL4367638 | 0.76 | ALDH1A1 (0.60) | ALDH1A1GLASMN1; SMN2TP53CYP3A4 | |
| SCHEMBL1419107 | 0.75 | HTR2A (0.55) | CYP2A6SMN1; SMN2TDP1IMPDH2HTR2A | |
| SCHEMBL29954497 | 0.75 | HTR2A (0.55) | CYP2A6SMN1; SMN2TDP1IMPDH2HTR2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0045910-B1 | INDOLE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION | Roche Diagnostics GmbH (DE) | 1984-10-10 | — | — | EP | disclosed |
| US-4468520-A | BETA-BLOCKERS | BOEHRINGER MANNHEIM GMBH (DE) | 1984-08-28 | — | — | US | disclosed |
| US-4442295-A | 3-Cyano indoles as intermediates for cardioselective compounds | BOEHRINGER MANNHEIM GMBH (DE) | 1984-04-10 | — | — | US | disclosed |
| EP-0045911-B1 | PROPANOL AMINE, DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1983-12-14 | — | — | EP | disclosed |
| EP-0045911-A1 | Propanol amine, derivatives, process for their preparation and medicines containing these compounds | Roche Diagnostics GmbH (DE) | 1982-02-17 | — | — | EP | disclosed |
| EP-0045910-A1 | Indole derivatives and process for their production | Roche Diagnostics GmbH (DE) | 1982-02-17 | — | — | EP | disclosed |