Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.50 |
| ▸ | HTR3B | O95264 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11504114 | 0.80 | HTR3E (0.61) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.74 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL8489 | 0.74 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| SCHEMBL4793606 | 0.73 | HTR3E (0.59) | CA1CA2CA7CA9CA12 | |
| SCHEMBL14873719 | 0.72 | CA1 (0.58) | CA1CA2CA7CA9CA12 | |
| SCHEMBL16789887 | 0.71 | HTR3E (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2925759 | 0.71 | HTR3E (0.68) | POLBHTR3EHTR3BADRB1HTR3A | |
| SCHEMBL16592412 | 0.71 | CA1 (0.50) | CA1CA2CA7CA9CA12 | |
| SCHEMBL15993007 | 0.70 | POLB (0.43) | CA1CA2CA7CA9CA12 | |
| SCHEMBL20415006 | 0.70 | HTR3E (0.66) | POLBHTR3EHTR3BADRB1HTR3A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210318231-A1 | Liquid Crystal-Based Detection of Air Contaminants Using Metal Surfaces | NATIONAL SCIENCE FOUNDATION | 2021-10-14 | — | — | US | disclosed |