Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CPA1 | P15085 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL29443947 | 0.93 | CES1 (0.54) | CES1CYP1A2MAPTPAX8ALDH1A1 | |
| Anthracene SCHEMBL1558998 | 0.83 | CES1 (0.50) | CES1CYP1A2KMT2APAX8ALDH1A1 | |
| Naphthylamine SCHEMBL30657102 | 0.80 | CYP3A4 (0.63) | CES1MAPTKMT2AALDH1A1KDM4E | |
| Naphthylamine SCHEMBL28317883 | 0.80 | CYP3A4 (0.63) | CES1MAPTKMT2AALDH1A1KDM4E | |
| Phenanthrene SCHEMBL1839925 | 0.79 | HSD17B10 (0.55) | CES1MAPTPAX8ALDH1A1KDM4E | |
| Trifluoroacetic Acid SCHEMBL29615579 | 0.79 | ALDH1A1 (0.41) | CES1CYP2D6ALDH1A1HIF1ACYP2C19 | |
| Trifluoroacetic Acid SCHEMBL1731636 | 0.79 | — | — | |
| Toluene SCHEMBL23540689 | 0.78 | LMNA (0.55) | CES1MAPTKMT2AALDH1A1CPA1 | |
| Aniline SCHEMBL3769652 | 0.78 | TSHR (0.55) | CES1CYP1A2CYP2D6MAPTHSD17B10 | |
| Toluene SCHEMBL6633610 | 0.78 | LMNA (0.55) | CES1MAPTKMT2AALDH1A1CPA1 |
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-109422749-A | A kind of pyrimidinedione derivative inhibiting monocarboxylate transporter | 重庆医药工业研究院有限责任公司 | 2019-03-05 | — | — | CN | disclosed |