Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | KIF11 | P52732 | 4/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10936747 | 1.00 | SLC6A2 (0.52) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2573964 | 0.78 | TAAR1 (0.58) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3879564 | 0.78 | TAAR1 (0.58) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9792024 | 0.76 | CYP1A2 (0.54) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| Water SCHEMBL11128724 | 0.76 | SLC6A2 (0.56) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28819441 | 0.76 | SLC6A2 (0.56) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2406230 | 0.76 | SLC6A2 (0.56) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL759856 | 0.76 | SLC6A2 (0.56) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL11784213 | 0.76 | SLC6A2 (0.56) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8208882 | 0.76 | CYP1A2 (0.54) | SLC6A2TAAR1CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-8975396-B2 | Process for the asymmetric transfer hydrogenation of ketones | EUTICALS GMBH (DE) | 2015-03-10 | — | — | US | disclosed |
| EP-2383261-B1 | Process for the asymmetric hydrogenation of ketones | EUTICALS GMBH (DE) | 2013-09-04 | — | — | EP | disclosed |