Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | PHGDH | O43175 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.36 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL189872 | 0.87 | CYP1A2 (0.59) | CYP1A2TDP1PHGDHNPSR1HTR1A | |
| Hydrochloric Acid SCHEMBL3228161 | 0.84 | CYP1A2 (0.56) | CYP1A2TDP1PHGDHNPSR1HTR1A | |
| Hydrochloric Acid SCHEMBL7438943 | 0.84 | CYP1A2 (0.56) | CYP1A2TDP1PHGDHNPSR1HTR1A | |
| Methylpiperazine SCHEMBL28887896 | 0.84 | CA2 (0.41) | CYP1A2TDP1PHGDHNPSR1CA2 | |
| Methylpiperazine SCHEMBL8607131 | 0.82 | CA2 (0.39) | CYP1A2TDP1PHGDHNPSR1CA2 | |
| SCHEMBL242268 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL956960 | 0.80 | CA2 (0.52) | CA2CA12CA1CA9CHKA | |
| SCHEMBL8029418 | 0.80 | CA2 (0.52) | CA2CA12CA1CA9CHKA | |
| Bromide SCHEMBL21957301 | 0.80 | CA2 (0.52) | CA2CA12CA1CA9CHKA | |
| SCHEMBL21065355 | 0.80 | CA2 (0.52) | CA2CA12CA1CA9CHKA |
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-4054604-A | MICROBIOCIDES, HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1977-10-18 | — | — | US | disclosed |
| US-3981868-A | MICROBIOCIDES, HYPOTENSIVE AGENTS | AMERICAN CYANAMID COMPANY (US) | 1976-09-21 | — | — | US | disclosed |