Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 4/20 | 0.42 |
| ▸ | WDR77 | Q9BQA1 | 4/20 | 0.42 |
| ▸ | KDM1A | O60341 | 3/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 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 | |
|---|---|---|---|---|
| SCHEMBL695510 | 0.81 | ALDH1A1 (0.62) | ALDH1A1KDM4EPRMT5WDR77KDM1A | |
| SCHEMBL4728607 | 0.80 | SLC6A4 (0.43) | KDM1AMAOAMAOB | |
| SCHEMBL25046109 | 0.78 | BCHE (0.58) | ALDH1A1KDM4EAURKARPS6KB1HTT | |
| SCHEMBL17790188 | 0.77 | KDM4E (0.51) | ALDH1A1KDM4EROCK2ROCK1AURKA | |
| SCHEMBL30245880 | 0.75 | CHRM2 (0.59) | ALDH1A1KDM4EHTTMMP13 | |
| SCHEMBL17788595 | 0.75 | KDM4E (0.49) | ALDH1A1KDM4EROCK2ROCK1AURKA | |
| SCHEMBL25302034 | 0.75 | CHRM2 (0.59) | ALDH1A1KDM4EHTTMMP13 | |
| Ammonia Solution, Strong SCHEMBL9637696 | 0.74 | ALDH1A1 (0.59) | ALDH1A1KDM4EROCK2PRMT5WDR77 | |
| SCHEMBL29982277 | 0.74 | MMP13 (0.55) | ALDH1A1KDM4EROCK2ROCK1AURKA | |
| SCHEMBL15834330 | 0.74 | MTNR1A (0.56) | ALDH1A1KDM4EROCK2ROCK1AURKA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008044144-A2 | CHIRAL TETRA-HYDRO BETA-CARBOLIC DERIVATIVES AND APPLICATIONS THEREOF AS ANTIPARASITIC COMPOUNDS | UNIVERSITE DE LILLE 2, UNIVERSITÉ DU DROIT ET DE LA SANTÉ (FR) | 2008-04-17 | — | — | WO | disclosed |