Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PNMT | P11086 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29350760 | 1.00 | TSHR (0.49) | TSHRSLC6A2SLC6A4SLC6A3SMN1; SMN2 | |
| SCHEMBL29351479 | 0.84 | CNR2 (0.42) | TSHRSLC6A4CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL28696686 | 0.84 | CNR2 (0.42) | TSHRSLC6A4CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL3310591 | 0.79 | TSHR (0.53) | TSHRSLC6A2SLC6A4SLC6A3SMN1; SMN2 | |
| SCHEMBL28682891 | 0.79 | MEN1 (0.44) | SLC6A2SLC6A4SLC6A3SMN1; SMN2HPGD | |
| SCHEMBL28932096 | 0.76 | CHRM2 (0.50) | IDO1SIGMAR1PNMTCYP2D6CYP1A2 | |
| SCHEMBL29350770 | 0.76 | CHRM2 (0.50) | IDO1SIGMAR1PNMTCYP2D6CYP1A2 | |
| SCHEMBL298380 | 0.74 | SLC6A4 (0.67) | TSHRSLC6A2SLC6A4SLC6A3SMN1; SMN2 | |
| SCHEMBL30139650 | 0.74 | SLC6A4 (0.67) | TSHRSLC6A2SLC6A4SLC6A3SMN1; SMN2 | |
| SCHEMBL30139651 | 0.74 | SLC6A4 (0.67) | TSHRSLC6A2SLC6A4SLC6A3SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113956182-B | HDAC/MAO-B dual inhibitor and preparation and application thereof | 杭州师范大学 | 2023-11-17 | — | — | CN | disclosed |
| CN-113956182-A | HDAC/MAO-B dual inhibitor and preparation and application thereof | 杭州师范大学 | 2022-01-21 | — | — | CN | disclosed |