Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL10037548 | 0.79 | NPC1 (0.39) | ALDH1A1NPC1SMN1; SMN2MAPK1HSD17B10 | |
| SCHEMBL904219 | 0.78 | GSR (0.42) | ALDH1A1NPC1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL901600 | 0.75 | TNNC1 (0.47) | ALDH1A1TP53CYP3A4HSD17B10KDM4E | |
| SCHEMBL11049158 | 0.68 | LMNA (0.50) | ALDH1A1NPC1SMN1; SMN2XDHTP53 | |
| SCHEMBL7723434 | 0.65 | ALDH1A1 (0.39) | ALDH1A1NPC1SMN1; SMN2XDHTP53 | |
| SCHEMBL9666859 | 0.64 | ALDH1A1 (0.38) | ALDH1A1NPC1SMN1; SMN2XDHTP53 | |
| SCHEMBL1169849 | 0.64 | LOXL2 (0.55) | ALDH1A1TSHRCYP1A2HSD17B10MEN1 | |
| SCHEMBL9808888 | 0.64 | ALDH1A1 (0.48) | ALDH1A1NPC1SMN1; SMN2XDHTP53 | |
| SCHEMBL11742131 | 0.63 | ALDH1A1 (0.44) | ALDH1A1NPC1SMN1; SMN2XDHTP53 | |
| SCHEMBL28309551 | 0.63 | CYP1A2 (0.45) | ALDH1A1SMN1; SMN2XDHTP53CYP3A4 |
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-102796022-A | Method for preparing 2-amino-2-[2-(4-alkyl phenyl) ethyl]-1,3-propanediol hydrochloride | NANJING HUWEI MEDICAL TECHNOLOGY DEV CO LTD | 2012-11-28 | — | — | CN | disclosed |