Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.83 |
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PLEC | Q15149 | 1/20 | 0.45 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | UNG | P13051 | 1/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17231887 | 0.91 | ALDH1A1 (1.00) | ALDH1A1MAOAMAOBHSD17B3CYP2A6 | |
| SCHEMBL4290 | 0.91 | — | — | |
| SCHEMBL29391648 | 0.91 | — | — | |
| Bromide SCHEMBL5484440 | 0.89 | ALDH1A1 (0.95) | ALDH1A1MAOAMAOBHSD17B3CYP2A6 | |
| Formaldehyde SCHEMBL27903513 | 0.87 | ALDH1A1 (0.91) | ALDH1A1MAOAMAOBHSD17B3CYP2A6 | |
| Ethylene SCHEMBL10571152 | 0.87 | ALDH1A1 (0.91) | ALDH1A1MAOAMAOBHSD17B3CYP2A6 | |
| SCHEMBL7090618 | 0.83 | ALDH1A1 (0.83) | ALDH1A1MAOAMAOBHSD17B3HSD11B1 | |
| SCHEMBL10442284 | 0.82 | ALDH1A1 (0.57) | ALDH1A1MAOAMAOBCYP2A6SMN1; SMN2 | |
| Benzaldehyde SCHEMBL27587046 | 0.82 | ALDH1A1 (0.70) | ALDH1A1MAOAMAOBCYP2A6TDP1 | |
| Benzene SCHEMBL28625494 | 0.82 | ALDH1A1 (0.60) | ALDH1A1MAOAMAOBCYP2A6TDP1 |
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 |