Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | ENO1 | P06733 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28106918 | 0.98 | ENO1 (0.36) | ALDH1A1SMN1; SMN2GAAPOLBMAPT | |
| SCHEMBL12015478 | 0.85 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2GAAPOLBMAPT | |
| SCHEMBL12015477 | 0.82 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2GAAPOLBMAPT | |
| SCHEMBL8440453 | 0.82 | ALDH1A1 (0.41) | ALDH1A1GAAPOLBMAPTNPSR1 | |
| SCHEMBL12989425 | 0.81 | SIGMAR1 (0.42) | ALDH1A1SMN1; SMN2GAAPOLBMAPT | |
| SCHEMBL9906132 | 0.81 | PRKCA (0.33) | GAAPOLBNPSR1ENO1PRKCA | |
| SCHEMBL15248890 | 0.81 | KMT2A (0.47) | ALDH1A1GAAPOLBMAPTNPSR1 | |
| SCHEMBL12422447 | 0.81 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2POLBMAPTNPSR1 | |
| SCHEMBL19432673 | 0.81 | KMT2A (0.47) | ALDH1A1GAAPOLBMAPTNPSR1 | |
| SCHEMBL9625099 | 0.78 | NPSR1 (0.47) | ALDH1A1GAAPOLBNPSR1CHRM2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110143949-A | Novel heterocyclic derivatives useful as SHP2 inhibitors | 北京加科思新药研发有限公司 | 2019-08-20 | — | — | CN | disclosed |
| CN-106132414-A | Aryl lactams inhibitors of kinases | 百时美施贵宝公司 | 2016-11-16 | — | — | CN | disclosed |
| CN-101506164-A | Piperidine derivatives | PFIZER PROD INC (US) | 2009-08-12 | — | — | CN | disclosed |
| CN-101316835-A | 5-substituted indole-2-carboxamide derivatives | HOFFMANN LA ROCHE (CH) | 2008-12-03 | — | — | CN | disclosed |