Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 2/20 | 0.55 |
| ▸ | HTR6 | P50406 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HTR7 | P34969 | 1/20 | 0.55 |
| ▸ | HTR3A | P46098 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.50 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.45 |
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 SCHEMBL21546046 | 0.98 | HTR1D (0.54) | HTR1DHTR6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8244089 | 0.87 | HTR6 (0.68) | HTR1DHTR6CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL21546038 | 0.86 | HTR6 (0.66) | HTR1DHTR6CYP1A2CYP3A4CYP2D6 | |
| Cyanide SCHEMBL28561259 | 0.83 | HTR6 (0.62) | HTR1DHTR6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21082250 | 0.81 | PTGS1 (0.53) | HSD17B10PTGS1PTGS2HTR2ASMN1; SMN2 | |
| SCHEMBL18235619 | 0.79 | HTR6 (0.56) | HTR1DHTR6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29415611 | 0.76 | ALDH1A1 (0.69) | HTR1DHTR6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1424220 | 0.76 | ALDH1A1 (0.69) | HTR1DHTR6CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31381374 | 0.75 | KDM4E (0.63) | CYP1A2CYP3A4CYP2C19PTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL273338 | 0.75 | ALDH1A1 (0.67) | HTR1DHTR6CYP1A2CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018106907-A1 | FUSED BICYCLIC ALKYLENE LINKED IMIDODICARBONIMIDIC DIAMIDES, METHODS FOR SYNTHESIS, AND USES IN THERARY | NOVATARG, INC. (US) | 2018-06-14 | — | — | WO | disclosed |
| EP-1532153-A1 | AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X-Ceptor Therapeutics, Inc. (US) | 2005-05-25 | — | — | EP | disclosed |
| WO-2003099821-A1 | AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | X-CEPTOR THERAPEUTICS, INC. (US) | 2003-12-04 | — | — | WO | disclosed |