Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.54 |
| ▸ | CA1 | P00915 | 4/20 | 0.54 |
| ▸ | CA2 | P00918 | 4/20 | 0.54 |
| ▸ | CA9 | Q16790 | 4/20 | 0.54 |
| ▸ | CA7 | P43166 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PARL | Q9H300 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 3/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6553349 | 0.89 | CA12 (0.51) | CA12CA1CA2CA9CA7 | |
| SCHEMBL577530 | 0.87 | PARL (0.46) | CA12CA1CA2CA9CA7 | |
| SCHEMBL7579006 | 0.84 | CA12 (0.40) | CA12CA1CA2CA9CA7 | |
| SCHEMBL7574292 | 0.83 | CA1 (0.43) | CA12CA1CA2CA9CA7 | |
| SCHEMBL7580880 | 0.83 | HSD11B1 (0.40) | CA12CA1CA2CA9CA7 | |
| SCHEMBL9230242 | 0.80 | PARL (0.41) | CA12CA1CA2CA9CA7 | |
| SCHEMBL576704 | 0.80 | PSIP1 (0.41) | CA12CA9PARLMMP13MMP2 | |
| SCHEMBL3452817 | 0.80 | CA12 (0.51) | CA12CA1CA2CA9CA7 | |
| SCHEMBL10990349 | 0.80 | PARL (0.41) | CA12CA1CA2CA9CA7 | |
| SCHEMBL7580648 | 0.80 | CA12 (0.37) | CA12CA1CA2CA9CA7 |
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 |