Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9309462 | 1.00 | KDM4E (0.34) | KDM4ECYP1A2CYP2D6RAD52ADRB3 | |
| SCHEMBL29608 | 1.00 | KDM4E (0.34) | KDM4ECYP1A2CYP2D6RAD52ADRB3 | |
| Hydrochloric Acid SCHEMBL3088634 | 0.99 | SMN1; SMN2 (0.34) | KDM4ECYP1A2CYP2D6RAD52ADRB3 | |
| Hydrochloric Acid SCHEMBL28265 | 0.99 | SMN1; SMN2 (0.34) | KDM4ECYP1A2CYP2D6RAD52ADRB3 | |
| Hydrochloric Acid SCHEMBL195167 | 0.98 | KDM4E (0.33) | KDM4ECYP1A2CYP2D6RAD52ADRB3 | |
| SCHEMBL15562859 | 0.88 | ADRB3 (0.35) | CYP1A2CYP2D6ADRB3CA12CA2 | |
| SCHEMBL9308678 | 0.88 | ADRB3 (0.35) | CYP1A2CYP2D6ADRB3CA12CA2 | |
| Hydrochloric Acid SCHEMBL3083869 | 0.86 | ADRB3 (0.35) | KDM4ECYP2D6ADRB3CA12CA2 | |
| Hydrochloric Acid SCHEMBL29377696 | 0.86 | ADRB3 (0.35) | KDM4ECYP2D6ADRB3CA12CA2 | |
| Hydrochloric Acid SCHEMBL3083871 | 0.86 | ADRB3 (0.35) | KDM4ECYP2D6ADRB3CA12CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5280032-A | 1,2-ethanediol derivative and salt thereof, process for producing the same, and cerebral function-improving agent comprising the same | TOYAMA CHEMICAL CO., LTD. (JP) | 1994-01-18 | — | — | US | claimed |