Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PHGDH | O43175 | 3/20 | 0.37 |
| ▸ | MGLL | Q99685 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | GSDMD | P57764 | 2/20 | 0.35 |
| ▸ | EHMT2 | Q96KQ7 | 2/20 | 0.35 |
| ▸ | EHMT1 | Q9H9B1 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3463060 | 0.86 | — | — | |
| Potassium SCHEMBL4624874 | 0.83 | — | — | |
| Water SCHEMBL27320809 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL11839574 | 0.83 | — | — | |
| Water SCHEMBL28235930 | 0.83 | ALDH1A1 (0.36) | PHGDHMGLLALDH1A1TSHRCYP1A2 | |
| Benzene SCHEMBL1568524 | 0.80 | HDAC3 (0.41) | PHGDHMGLLALDH1A1TSHRCYP1A2 | |
| SCHEMBL28109951 | 0.78 | — | — | |
| SCHEMBL28056876 | 0.78 | ALDH1A1 (0.38) | PHGDHMGLLALDH1A1TSHRCYP2C9 | |
| SCHEMBL10465114 | 0.77 | ALDH1A1 (0.43) | PHGDHMGLLALDH1A1TSHRCYP2C9 | |
| SCHEMBL28056870 | 0.77 | NOS3 (0.40) | PHGDHMGLLALDH1A1TSHRCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103992265-B | Two three bromo 1,3-bis-pyridine alkali propane and preparation method thereof, using method, recovery method and application | XI'AN JIAOTONG UNIVERSITY (CN) | 2016-02-24 | — | — | CN | disclosed |