Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 4/20 | 0.70 |
| ▸ | HTR1A | P08908 | 4/20 | 0.70 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.70 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.70 |
| ▸ | MAOA | P21397 | 1/20 | 0.70 |
| ▸ | ADRB2 | P07550 | 11/20 | 0.66 |
| ▸ | ADRB1 | P08588 | 11/20 | 0.66 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.61 |
| ▸ | HTR2A | P28223 | 4/20 | 0.61 |
| ▸ | NR2E1 | Q9Y466 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | HTR2C | P28335 | 3/20 | 0.61 |
| ▸ | HTR6 | P50406 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | SCN1A | P35498 | 2/20 | 0.61 |
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL11207616 | 0.89 | HTR1A (0.67) | HTR2BHTR1AADRA2AADRA2BMAOA | |
| SCHEMBL11751333 | 0.88 | HTR1A (0.65) | HTR2BHTR1AADRA2AADRA2BMAOA | |
| SCHEMBL11197802 | 0.86 | ADRB2 (0.66) | HTR2BHTR1AADRA2AADRB2ADRB1 | |
| SCHEMBL11868102 | 0.85 | ADRB2 (0.82) | HTR2BHTR1AADRA2AADRB2ADRB1 | |
| SCHEMBL11748169 | 0.85 | HTR1A (0.68) | HTR2BHTR1AADRA2AADRA2BMAOA | |
| SCHEMBL10594381 | 0.84 | ADRB2 (0.63) | HTR2BHTR1AADRA2AADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL11874444 | 0.84 | ADRB2 (0.80) | HTR2BHTR1AADRA2AADRB2ADRB1 | |
| SCHEMBL9655212 | 0.83 | HTR1A (0.70) | HTR2BHTR1AADRA2AADRA2BMAOA | |
| SCHEMBL11751117 | 0.83 | HTR1A (0.62) | HTR2BHTR1AADRA2AADRA2BMAOA | |
| SCHEMBL11071495 | 0.83 | MEN1 (0.67) | HTR2BHTR1AADRA2AADRA2BMAOA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4391980-A | FOR INVERSION OF CONFIGURATION OF OPTICALLY ACTIVE COMPOUNDS | CIBA-GEIGY CORPORATION (US) | 1983-07-05 | — | — | US | disclosed |
| US-4294966-A | SALT FORMATION | CIBA-GEIGY CORPORATION (US) | 1981-10-13 | — | — | US | disclosed |
| EP-0007605-A1 | A process for inverting the configuration in optically active compounds and optically active intermediate compounds and their salts required therefor | CIBA-GEIGY AG (CH) | 1980-02-06 | — | — | EP | disclosed |
| US-4182911-A | BETA-ADRENERGIC BLOCKING AGENTS | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-01-08 | — | — | US | disclosed |
| US-4161530-A | CYCLIC SUBSTITUTED AMINO ALCOHOL BETA-RECEPTOR-BLOCKING AGENT AND TRYPTOPHANE | CIBA-GEIGY CORPORATION (US) | 1979-07-17 | — | — | US | disclosed |
| US-3975539-A | B-ADRENERGIC BLOCKING, HYPOTENSIVE | BOEHRINGER INGELHEIM GMBH (DT) | 1976-08-17 | — | — | US | disclosed |
| US-3937834-A | ALPHA-RECEPTOR BLOCKER, BETA-RECEPTOR BLOCKER, HIGH BLOOD PRESSURE, ANGINA PECTORIS | CIBA-GEIGY CORPORATION (US) | 1976-02-10 | — | — | US | disclosed |