Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.33 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.33 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7579639 | 1.00 | ALDH1A1 (0.39) | ALDH1A1MAOBADORA2AADORA1KCNH2 | |
| SCHEMBL7579047 | 0.95 | ALDH1A1 (0.39) | ALDH1A1MAOBADORA2AADORA1KCNH2 | |
| SCHEMBL7579039 | 0.95 | ALDH1A1 (0.39) | ALDH1A1MAOBADORA2AADORA1KCNH2 | |
| SCHEMBL7580232 | 0.94 | KCNH2 (0.39) | ALDH1A1MAOBADORA2AADORA1KCNH2 | |
| SCHEMBL7580238 | 0.94 | KCNH2 (0.39) | ALDH1A1MAOBADORA2AADORA1KCNH2 | |
| SCHEMBL7580433 | 0.90 | MAOB (0.40) | ALDH1A1MAOBADORA2AADORA1KCNH2 | |
| SCHEMBL7580429 | 0.90 | MAOB (0.40) | ALDH1A1MAOBADORA2AADORA1KCNH2 | |
| SCHEMBL7571967 | 0.84 | MAPT (0.41) | ALDH1A1KCNH2KMT2ACYP1A2TSHR | |
| SCHEMBL7571972 | 0.84 | MAPT (0.41) | ALDH1A1KCNH2KMT2ACYP1A2TSHR | |
| SCHEMBL7575168 | 0.83 | MAOB (0.42) | ALDH1A1MAOBADORA2AADORA1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0810199-B1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL CO (JP) | 2002-09-25 | — | — | EP | disclosed |
| US-5756769-A | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0810199-A1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-12-03 | — | — | EP | disclosed |