Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | XPO1 | O14980 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8661726 | 0.84 | XPO1 (0.49) | AKR1C3AKR1C2XPO1HTTMEN1 | |
| SCHEMBL14604992 | 0.82 | TAAR1 (0.39) | AKR1C3AKR1C2TAAR1IDO1MAOB | |
| SCHEMBL1967894 | 0.80 | ALDH1A1 (0.46) | AKR1C3AKR1C2MEN1KMT2AMAOB | |
| SCHEMBL1967891 | 0.80 | ALDH1A1 (0.46) | AKR1C3AKR1C2MEN1KMT2AMAOB | |
| SCHEMBL381979 | 0.77 | XPO1 (0.44) | AKR1C3XPO1HTTMEN1CYP3A4 | |
| SCHEMBL1967302 | 0.77 | HTT (0.53) | AKR1C3TAAR1XPO1IDO1HTT | |
| SCHEMBL2961732 | 0.77 | XPO1 (0.44) | TAAR1XPO1HTTMEN1CYP3A4 | |
| SCHEMBL14201987 | 0.76 | XPO1 (0.41) | AKR1C3AKR1C2XPO1HTTMEN1 | |
| SCHEMBL9586885 | 0.76 | RAB9A (0.39) | TAAR1CYP3A4KMT2ACYP1A2CYP2D6 | |
| SCHEMBL9587348 | 0.76 | RAB9A (0.39) | TAAR1CYP3A4KMT2ACYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108623513-B | Synthesis method of tetrahydroisoindole-1, 3-diketone derivative | 西北大学 | 2020-09-08 | — | — | CN | disclosed |
| CN-108794347-A | A kind of 1- methyl -4,4, the preparation method of 5,5- four cyano cyclohexene derivatives | 西北大学 | 2018-11-13 | — | — | CN | disclosed |
| CN-108623513-A | A kind of synthetic method of tetrahydrochysene iso-indoles -1,3- derovatives | 西北大学 | 2018-10-09 | — | — | CN | disclosed |