Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.59 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.59 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28113439 | 0.97 | CYP3A4 (0.61) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Benzene SCHEMBL28135573 | 0.88 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Pyrazine SCHEMBL28096471 | 0.88 | CYP3A4 (0.57) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Pyridine SCHEMBL30984530 | 0.84 | CYP3A4 (0.70) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Benzene SCHEMBL29089513 | 0.84 | L3MBTL1 (0.55) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Benzene SCHEMBL28420098 | 0.84 | L3MBTL1 (0.55) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| Benzene SCHEMBL28031566 | 0.81 | KDM4E (0.52) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL3545 | 0.81 | L3MBTL1 (0.57) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL16291133 | 0.81 | L3MBTL1 (0.57) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL28591996 | 0.79 | KDM4E (0.52) | CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6 |
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-103534252-B | Benzomorpholine derivatives and its preparation method and application | 上海艾力斯医药科技有限公司 | 2016-08-24 | — | — | CN | disclosed |