Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | FBP1 | P09467 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7573612 | 0.78 | MAPT (0.49) | FBP1ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7571861 | 0.78 | CAPN1 (0.41) | ALDH1A1TSHRMEN1KMT2ALMNA | |
| SCHEMBL7575165 | 0.78 | GRIN2D (0.41) | FBP1ALDH1A1GRIN2DGRIN3BGRIN1 | |
| SCHEMBL7581379 | 0.78 | NPC1 (0.41) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL7579202 | 0.78 | GRIN2D (0.41) | ALDH1A1AKR1C3GRIN2DGRIN3BGRIN1 | |
| SCHEMBL3951201 | 0.77 | MCL1 (0.60) | MCL1FBP1ALDH1A1TSHRMEN1 | |
| SCHEMBL4788216 | 0.77 | MCL1 (0.50) | MCL1FBP1ALDH1A1TSHRAKR1C3 | |
| SCHEMBL9873679 | 0.77 | MCL1 (0.50) | MCL1FBP1ALDH1A1TSHRAKR1C3 | |
| SCHEMBL3366325 | 0.77 | MCL1 (0.60) | MCL1FBP1ALDH1A1TSHRMEN1 | |
| SCHEMBL7663205 | 0.77 | MCL1 (0.50) | MCL1FBP1ALDH1A1TSHRAKR1C3 |
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 |