Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SAT1 | P21673 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6302534 | 0.81 | TDP1 (0.37) | SAT1KMT2ATDP1KDM4ECYP1A2 | |
| SCHEMBL6302963 | 0.78 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2ATDP1L3MBTL1 | |
| SCHEMBL6302339 | 0.77 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2ATDP1L3MBTL1 | |
| SCHEMBL6309369 | 0.77 | CXCR4 (0.38) | ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL6305463 | 0.77 | CXCR4 (0.41) | ALDH1A1KMT2AKDM4E | |
| SCHEMBL6302920 | 0.75 | ALDH1A1 (0.36) | ALDH1A1MEN1KMT2ATDP1L3MBTL1 | |
| SCHEMBL11935158 | 0.74 | LRRK2 (0.38) | SAT1GNAI3GNAO1GNAI1TDP1 | |
| SCHEMBL6305075 | 0.73 | KDM4E (0.38) | ALDH1A1MEN1KMT2ATDP1L3MBTL1 | |
| SCHEMBL19330171 | 0.73 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2ATDP1L3MBTL1 | |
| SCHEMBL1862344 | 0.72 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2ATDP1L3MBTL1 |
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-6949562-B2 | Heterocyclic compounds as ligands of the GABAA receptor | NEUROGEN CORPORATION (US) | 2005-09-27 | — | — | US | disclosed |