Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 8/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.35 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| Ethylenediamine SCHEMBL4584735 | 0.78 | HTT (0.38) | PKMSMN1; SMN2MEN1KMT2ATSHR | |
| Butylamine SCHEMBL4448110 | 0.75 | DNM1 (0.53) | DNM1MEN1KMT2AALDH1A1TSHR | |
| Butylamine SCHEMBL3530621 | 0.75 | DNM1 (0.53) | DNM1MEN1KMT2AALDH1A1TSHR | |
| Butylamine SCHEMBL2547783 | 0.75 | — | — | |
| SCHEMBL336394 | 0.75 | CES2 (0.43) | PKMSMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL29449985 | 0.75 | CES2 (0.43) | PKMSMN1; SMN2MEN1KMT2ATSHR | |
| SCHEMBL29927198 | 0.74 | HCAR2 (0.47) | HCAR2ESR1PKMSMN1; SMN2MEN1 | |
| SCHEMBL7855513 | 0.74 | HCAR2 (0.47) | HCAR2ESR1PKMSMN1; SMN2MEN1 | |
| Monoethanolamine SCHEMBL1833733 | 0.74 | TSHR (0.38) | PKMSMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL7863490 | 0.73 | HCAR2 (0.42) | HCAR2ESR1PLK1 |
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-H992-H | Using copper catalyst in quinoline or n-methyl-2-pyrrolidone | OCCIDENTAL CHEMICAL CORPORATION (US) | 1991-11-05 | — | — | US | disclosed |