Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 7/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | EYA2 | O00167 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7575172 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TDP1FBP1CHRM5MEN1 | |
| SCHEMBL7572281 | 0.89 | MEN1 (0.51) | ALDH1A1FBP1MEN1KMT2AMAPT | |
| SCHEMBL7572287 | 0.89 | MEN1 (0.51) | ALDH1A1FBP1MEN1KMT2AMAPT | |
| SCHEMBL7579646 | 0.88 | ALDH1A1 (0.42) | ALDH1A1TDP1MEN1KMT2AMAPT | |
| SCHEMBL7574055 | 0.87 | ALDH1A1 (0.48) | ALDH1A1TDP1FBP1MEN1KMT2A | |
| SCHEMBL7572697 | 0.85 | MAPT (0.45) | MAPTCA1CA2GAANPC1 | |
| SCHEMBL7572694 | 0.85 | MAPT (0.45) | MAPTCA1CA2GAANPC1 | |
| SCHEMBL7581527 | 0.85 | MEN1 (0.49) | ALDH1A1MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL7581536 | 0.85 | MEN1 (0.49) | ALDH1A1MEN1KMT2AMAPTMAPK1 | |
| SCHEMBL7573146 | 0.83 | GRIN2D (0.44) | ALDH1A1TDP1FBP1MEN1KMT2A |
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 |