Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.51 |
| ▸ | ANPEP | P15144 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29282031 | 0.87 | AKR1C3 (0.38) | EPHX1ANPEPKDM4EHPGDALDH1A1 | |
| SCHEMBL1479596 | 0.81 | ANPEP (0.49) | EPHX1ANPEPCES2CES1KDM4E | |
| SCHEMBL29267422 | 0.80 | EPHX1 (0.45) | EPHX1ANPEPCES2CES1KDM4E | |
| SCHEMBL1403189 | 0.79 | ANPEP (0.47) | EPHX1ANPEPCES2CES1KDM4E | |
| SCHEMBL9666253 | 0.79 | EPHX1 (0.56) | EPHX1ANPEPCES2CES1KDM4E | |
| SCHEMBL11332669 | 0.79 | ALDH1A1 (0.50) | EPHX1ANPEPCES2CES1KDM4E | |
| SCHEMBL11764204 | 0.79 | ANPEP (0.47) | EPHX1ANPEPCES2CES1KDM4E | |
| SCHEMBL28340440 | 0.78 | ANPEP (0.46) | EPHX1ANPEPCES2CES1KDM4E | |
| SCHEMBL22958258 | 0.78 | EPHX1 (0.42) | EPHX1ANPEPCES2CES1KDM4E | |
| SCHEMBL14341653 | 0.77 | HPGD (0.46) | HPGDALDH1A1MEN1KMT2ACA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109796383-B | 1-thiophenyl-N-acetyl-2-naphthylamine and its derivative and synthesis method | 湘潭大学 | 2020-09-18 | — | — | CN | claimed |
| CN-109796383-B | 1-thiophenyl-N-acetyl-2-naphthylamine and its derivative and synthesis method | 湘潭大学 | 2020-09-18 | — | — | CN | disclosed |
| CN-110536884-A | synthesis of MCL-1 inhibitors | ASTRAZENECA AB | 2019-12-03 | — | — | CN | disclosed |
| US-5710211-A | REACTION OF POLYMER WITH COMPOUND HAVING A THIOL OR THIOESTER AND HYDROLYSIS TO FORM VINYL ALCOHOL | KURARAY CO., LTD. (JP) | 1998-01-20 | — | — | US | disclosed |