Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL7575213 | 0.81 | MAOA (0.42) | NPC1RAB9ASMN1; SMN2CA12CA2 | |
| SCHEMBL7581382 | 0.80 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2ALDH1A1MAOB | |
| SCHEMBL7573616 | 0.80 | NPC1 (0.41) | NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B | |
| SCHEMBL7575169 | 0.80 | MAOB (0.47) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL7571865 | 0.80 | PYCR1 (0.34) | CA12CA2CA9ALDH1A1KMT2A | |
| SCHEMBL20115842 | 0.79 | ALDH1A1 (0.35) | CA12CA2CA9ALDH1A1MAOB | |
| SCHEMBL7581530 | 0.79 | MAPT (0.46) | RAB9ASMN1; SMN2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL13107935 | 0.79 | LMNA (0.46) | NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B | |
| SCHEMBL3444466 | 0.79 | LMNA (0.46) | NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B | |
| SCHEMBL3444467 | 0.79 | LMNA (0.46) | NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B |
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 |