Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.66 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.49 |
| ▸ | GRK5 | P34947 | 1/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.48 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1009407 | 0.99 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA | |
| SCHEMBL17320112 | 0.99 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA | |
| SCHEMBL1817113 | 0.99 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA | |
| SCHEMBL28107109 | 0.88 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA | |
| SCHEMBL7314623 | 0.88 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA | |
| SCHEMBL27852999 | 0.85 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2SIGMAR1KDM4EGAA | |
| SCHEMBL2032041 | 0.83 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2SIGMAR1KDM4ECYP1A2 | |
| SCHEMBL21618307 | 0.83 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2SIGMAR1KDM4ECYP1A2 | |
| SCHEMBL1818801 | 0.83 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2SIGMAR1KDM4ECYP1A2 | |
| SCHEMBL2029008 | 0.82 | MAOA (0.60) | ALDH1A1SMN1; SMN2SIGMAR1KDM4EKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-103702980-B | Cyclic amine derivatives as EP 4 receptor antagonists | 罗达制药生物技术有限责任公司 | 2016-10-05 | — | — | CN | disclosed |