Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | MITF | O75030 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Ethyl Picolinate SCHEMBL10544568 | 0.97 | CYP1A2 (0.57) | CYP1A2ALDH1A1POLBAPPPKM | |
| Ethyl Picolinate SCHEMBL126181 | 0.93 | CYP1A2 (0.65) | CYP1A2ALDH1A1POLBAPPPKM | |
| Ethyl Picolinate SCHEMBL8661716 | 0.93 | CYP1A2 (0.65) | CYP1A2ALDH1A1POLBAPPPKM | |
| Ethyl Picolinate SCHEMBL30016787 | 0.93 | CYP1A2 (0.65) | CYP1A2ALDH1A1POLBAPPPKM | |
| Ethyl Picolinate SCHEMBL28419537 | 0.92 | CYP1A2 (0.62) | CYP1A2ALDH1A1POLBAPPPKM | |
| Ethyl Picolinate SCHEMBL27510221 | 0.92 | CYP1A2 (0.62) | CYP1A2ALDH1A1POLBAPPPKM | |
| Ethyl Picolinate SCHEMBL29054125 | 0.92 | CYP1A2 (0.62) | CYP1A2ALDH1A1POLBAPPPKM | |
| Ethyl Picolinate SCHEMBL27624408 | 0.92 | CYP1A2 (0.62) | CYP1A2ALDH1A1POLBAPPPKM | |
| Ethyl Picolinate SCHEMBL28239018 | 0.89 | CYP1A2 (0.59) | CYP1A2ALDH1A1POLBAPPPKM | |
| Ethyl Picolinate SCHEMBL6739951 | 0.83 | ALDH1A1 (0.53) | CYP1A2ALDH1A1POLBAPPPKM |
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 |
|---|---|---|---|---|---|---|---|
| CN-86107767-A | NOVEL ORGANIC SELENIUM COMPOUNDS | — | 1987-08-05 | — | — | CN | disclosed |