Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | HPGD | P15428 | 3/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.68 |
| ▸ | OGG1 | O15527 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.49 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27211583 | 0.90 | KDM4E (0.77) | KDM4EALDH1A1HPGDTDP1OGG1 | |
| SCHEMBL29067222 | 0.85 | KDM4E (0.70) | KDM4EALDH1A1HPGDTDP1OGG1 | |
| SCHEMBL9329851 | 0.83 | KDM4E (0.68) | KDM4EALDH1A1HPGDTDP1OGG1 | |
| SCHEMBL28881020 | 0.83 | KDM4E (0.68) | KDM4EALDH1A1HPGDTDP1OGG1 | |
| SCHEMBL30499047 | 0.83 | KDM4E (0.68) | KDM4EALDH1A1HPGDTDP1OGG1 | |
| SCHEMBL3253891 | 0.83 | KDM4E (0.72) | KDM4EALDH1A1HPGDTDP1OGG1 | |
| Naphthyloxyacetic Acid SCHEMBL29364154 | 0.81 | KDM4E (1.00) | KDM4EALDH1A1HPGDTDP1OGG1 | |
| Naphthyloxyacetic Acid SCHEMBL120838 | 0.81 | KDM4E (1.00) | KDM4EALDH1A1HPGDTDP1OGG1 | |
| SCHEMBL4908724 | 0.81 | KDM4E (0.74) | KDM4EALDH1A1HPGDTDP1OGG1 | |
| SCHEMBL27852221 | 0.81 | ALDH1A1 (0.69) | KDM4EALDH1A1HPGDTDP1OGG1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0283147-B1 | Labile ketone derivatives of 3-substituted-1-alkylamino-2-propanols and their use as beta-adrenergic blockers | UNIV FLORIDA (US) | 1994-05-11 | — | — | EP | disclosed |
| US-5017618-A | Treatment Of Glaucoma | UNIVERSITY OF FLORIDA (US) | 1991-05-21 | — | — | US | disclosed |
| WO-1988007036-A1 | LABILE KETONE DERIVATIVES OF 3-SUBSTITUTED-1-ALKYLAMINO-2-PROPANOLS AND THEIR USE AS beta-ADRENERGIC BLOCKERS | UNIVERSITY OF FLORIDA (US) | 1988-09-22 | — | — | WO | disclosed |
| EP-0283147-A1 | Labile ketone derivatives of 3-substituted-1-alkylamino-2-propanols and their use as beta-adrenergic blockers | UNIVERSITY OF FLORIDA (US) | 1988-09-21 | — | — | EP | disclosed |