Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11073381 | 0.86 | CYP2D6 (0.36) | CYP2D6CYP2C19NPC1CHRM2ADRA2A | |
| SCHEMBL11068442 | 0.78 | PKM (0.36) | PKMCYP2D6CYP2C19NPC1ALDH1A1 | |
| SCHEMBL2058933 | 0.72 | PKM (0.46) | PKM | |
| SCHEMBL231127 | 0.68 | CYP2D6 (0.57) | CYP2D6CYP2C19NPC1CHRM2ADRA2A | |
| Hydrochloric Acid SCHEMBL6775520 | 0.66 | CYP2D6 (0.55) | CYP2D6CYP2C19NPC1CHRM2ADRA2A | |
| Methane SCHEMBL28533749 | 0.66 | CYP2D6 (0.55) | CYP2D6CYP2C19NPC1CHRM2ADRA2A | |
| SCHEMBL10831048 | 0.66 | PKM (0.47) | PKMNPC1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL7752752 | 0.66 | CYP2D6 (0.52) | CYP2D6CYP2C19NPC1CHRM2ADRA2A | |
| SCHEMBL28836687 | 0.65 | PKM (0.41) | PKM | |
| SCHEMBL18712613 | 0.64 | CYP2D6 (0.46) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 |
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-4471122-A | Thiadiazole histamine H2 -antagonists | BRISTOL-MYERS COMPANY (US) | 1984-09-11 | — | — | US | claimed |
| US-4471122-A | Thiadiazole histamine H2 -antagonists | BRISTOL-MYERS COMPANY (US) | 1984-09-11 | — | — | US | disclosed |