Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.58 |
| ▸ | DHFR | P00374 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6099068 | 0.84 | SLC6A3 (0.78) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL20850913 | 0.84 | SLC6A3 (0.78) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL16700055 | 0.84 | SLC6A3 (0.78) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL14453321 | 0.84 | SLC6A3 (0.78) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL10101580 | 0.84 | SLC6A3 (0.78) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL1462581 | 0.84 | SLC6A3 (0.78) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL12550069 | 0.84 | SLC6A3 (0.78) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL28886309 | 0.84 | SLC6A3 (0.58) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 | |
| SCHEMBL2141545 | 0.84 | SLC6A3 (0.60) | SLC6A3SLC6A2SLC6A4DHFR | |
| Hydrochloric Acid SCHEMBL2988020 | 0.83 | SLC6A3 (0.76) | SLC6A3SLC6A2SLC6A4DHFRALDH1A1 |
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-115322141-B | Method for preparing chiral methylphenidate compound through asymmetric hydrogenation | 凯特立斯（深圳）科技有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-115322141-A | Method for preparing chiral methylphenidate compound by asymmetric hydrogenation | 凯特立斯（深圳）科技有限公司 | 2022-11-11 | — | — | CN | disclosed |