Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1527172 | 0.93 | DNM1 (0.46) | ALDH1A1TSHRKDM4EHSD17B10DNM1 | |
| SCHEMBL10046070 | 0.84 | DNM1 (0.43) | ALDH1A1TSHRKDM4EHSD17B10DNM1 | |
| SCHEMBL11251841 | 0.82 | CA1 (0.50) | ALDH1A1DNM1CA1CA2CA12 | |
| SCHEMBL1176034 | 0.82 | HSD17B10 (0.48) | ALDH1A1TSHRKDM4EHSD17B10DNM1 | |
| Hydrochloric Acid SCHEMBL538594 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM4EHSD17B10DNM1 | |
| SCHEMBL6448534 | 0.80 | TDP1 (0.42) | ALDH1A1TSHRKDM4EHSD17B10DNM1 | |
| Bromide SCHEMBL9290866 | 0.79 | HRH4 (0.41) | ALDH1A1TSHRKDM4EHSD17B10DNM1 | |
| Hydrochloric Acid SCHEMBL538061 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TSHRKDM4EHSD17B10DNM1 | |
| Bromide SCHEMBL9290763 | 0.77 | HRH4 (0.40) | ALDH1A1TSHRKDM4EHSD17B10DNM1 | |
| SCHEMBL11250825 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TSHRKDM4EDNM1PAOX |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0033879-A2 | 1,3-Bis-(dialkylaminoalkyl) guanidines optionally substituted at the alkyl groups and process for their preparation | BASF Aktiengesellschaft (DE) | 1981-08-19 | — | — | EP | disclosed |