Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4909130 | 0.75 | — | — | |
| SCHEMBL450165 | 0.72 | ALDH1A1 (0.43) | RAB9AKDM4EALDH1A1GAASMN1; SMN2 | |
| SCHEMBL19439 | 0.70 | NOTUM (0.39) | NOTUMCYP1A2CYP19A1RAB9AALDH1A1 | |
| SCHEMBL14125002 | 0.69 | NOTUM (0.56) | NOTUMCYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL4590846 | 0.69 | MAPK14 (0.35) | CYP19A1RAB9AALDH1A1NPC1 | |
| SCHEMBL5797199 | 0.68 | MAPT (0.43) | NOTUMCYP1A2CYP2C9CYP2C19RAB9A | |
| SCHEMBL8062583 | 0.68 | NOTUM (0.38) | NOTUMCYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL3397722 | 0.67 | NOTUM (0.35) | NOTUMRAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL1393998 | 0.67 | — | — | |
| SCHEMBL3766008 | 0.66 | ADRA2A (0.50) | CYP1A2CYP19A1RAB9AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6586441-B2 | 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders | HOFFMAN-LA ROCHE INC. | 2003-07-01 | — | — | US | disclosed |