Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | PKN1 | Q16512 | 4/20 | 0.51 |
| ▸ | PKN2 | Q16513 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | RHEB | Q15382 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HPSE | Q9Y251 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | GUSB | P08236 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL18586196 | 0.98 | ALDH1A1 (0.50) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| SCHEMBL24011225 | 0.93 | RAD52 (0.53) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| SCHEMBL23999512 | 0.89 | MEN1 (0.54) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| SCHEMBL30440947 | 0.85 | KDM4E (0.73) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| Hydrochloric Acid SCHEMBL18585474 | 0.85 | MAPKAPK2 (0.49) | — | |
| SCHEMBL18585635 | 0.84 | ROCK2 (0.54) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 | |
| SCHEMBL18617611 | 0.84 | NPC1 (0.43) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| SCHEMBL18617883 | 0.83 | KDM4E (0.38) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| Hydrochloric Acid SCHEMBL18585863 | 0.83 | NPC1 (0.42) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| SCHEMBL23999511 | 0.81 | KDR (0.63) | ALDH1A1KDM4EHPGDCYP1A2CYP3A4 |
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-2017039318-A1 | BENZIMIDAZOLE DERIVATIVES FOR DNA METHYLATION INHIBITORS | KAINOS MEDICINE, INC. (KR) | 2017-03-09 | — | — | WO | disclosed |