Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.36 |
| ▸ | WNT3A | P56704 | 2/20 | 0.36 |
| ▸ | REN | P00797 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2362402 | 0.79 | CYP2A6 (0.34) | SLC6A2SLC6A4SLC6A3KCNH2CYP2A6 | |
| SCHEMBL984632 | 0.69 | SLC6A2 (1.00) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| Hydrochloric Acid SCHEMBL984746 | 0.68 | SLC6A2 (0.98) | SLC6A2SLC6A4SLC6A3KCNH2CYP2D6 | |
| SCHEMBL981018 | 0.65 | SLC6A4 (0.61) | SLC6A2SLC6A4SLC6A3KCNH2CYP2A6 | |
| Hydrochloric Acid SCHEMBL984582 | 0.64 | SLC6A2 (0.60) | SLC6A2SLC6A4SLC6A3KCNH2CYP2A6 | |
| SCHEMBL1601703 | 0.64 | CYP2A6 (0.59) | SLC6A2SLC6A4SLC6A3KCNH2CYP2A6 | |
| SCHEMBL980926 | 0.64 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3KCNH2CYP2A6 | |
| SCHEMBL28079595 | 0.61 | MAOA (0.38) | — | |
| SCHEMBL18415524 | 0.60 | HDAC1 (0.53) | SLC6A2SLC6A4SLC6A3KCNH2CYP2A6 | |
| SCHEMBL20893521 | 0.60 | MRGPRX4 (0.69) | SLC6A2SLC6A3MRGPRX4MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2257545-B1 | PYRROLIDINYL DERIVATIVES AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |