Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 7/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28825805 | 1.00 | NPC1 (0.58) | NPC1TSHRALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL28050460 | 1.00 | NPC1 (0.58) | NPC1TSHRALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL3633444 | 0.99 | NPC1 (0.59) | NPC1TSHRALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL9015298 | 0.94 | TSHR (0.58) | NPC1TSHRALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL28643500 | 0.88 | THRB (0.51) | NPC1TSHRALDH1A1CYP3A4SMN1; SMN2 | |
| Acrylic Acid SCHEMBL31590930 | 0.84 | THRB (0.51) | NPC1TSHRALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL10341120 | 0.79 | NPC1 (0.63) | NPC1TSHRALDH1A1SMN1; SMN2L3MBTL1 | |
| SCHEMBL28093241 | 0.79 | NPC1 (0.56) | NPC1TSHRALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL28093005 | 0.79 | NPC1 (0.56) | NPC1TSHRALDH1A1CYP3A4SMN1; SMN2 | |
| SCHEMBL28050476 | 0.79 | NPC1 (0.56) | NPC1TSHRALDH1A1CYP3A4SMN1; SMN2 |
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-105408415-A | Organic-inorganic hybrid composition, optical element and optical device using the same | LMS CO LTD | 2016-03-16 | — | — | CN | disclosed |