Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP15 | Q460N3 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.32 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7580227 | 1.00 | PARP15 (0.38) | PARP15PARP2CYP1A2TSHRMAOB | |
| SCHEMBL7572652 | 0.86 | CYP1A2 (0.39) | PARP15PARP2CYP1A2TSHRMAOB | |
| SCHEMBL7572656 | 0.86 | CYP1A2 (0.39) | PARP15PARP2CYP1A2TSHRMAOB | |
| SCHEMBL7575413 | 0.86 | NFE2L2 (0.35) | KMT2AMEN1LMNAALDH1A1NPC1 | |
| SCHEMBL7575405 | 0.86 | NFE2L2 (0.35) | KMT2AMEN1LMNAALDH1A1NPC1 | |
| SCHEMBL7572816 | 0.86 | CHRM5 (0.42) | CYP1A2KMT2AMEN1LMNAGFER | |
| SCHEMBL7572820 | 0.86 | CHRM5 (0.42) | CYP1A2KMT2AMEN1LMNAGFER | |
| SCHEMBL7575438 | 0.83 | KMT2A (0.38) | CYP1A2KMT2AMEN1LMNAALDH1A1 | |
| SCHEMBL7575432 | 0.83 | KMT2A (0.38) | CYP1A2KMT2AMEN1LMNAALDH1A1 | |
| SCHEMBL7579581 | 0.81 | SLC2A1 (0.40) | MAOBKMT2AMEN1ALDH1A1NPC1 |
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 |