Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL193765 | 0.92 | — | — | |
| SCHEMBL29560120 | 0.92 | — | — | |
| P-Xylene SCHEMBL11770811 | 0.90 | ALDH1A1 (0.48) | ALDH1A1TDP1HPGDTSHRCYP1A2 | |
| SCHEMBL1314998 | 0.90 | ALDH1A1 (0.46) | ALDH1A1TDP1HPGDTSHRCYP1A2 | |
| Methoxymethane SCHEMBL27459274 | 0.85 | ALDH1A1 (0.42) | ALDH1A1TDP1HPGDCYP1A2CYP2A6 | |
| Acetic Acid SCHEMBL29059222 | 0.84 | NPC1 (0.45) | ALDH1A1TDP1HPGDTSHRTP53 | |
| SCHEMBL29098242 | 0.83 | ALDH1A1 (0.41) | ALDH1A1TDP1HPGDTSHRCYP1A2 | |
| Formic Acid SCHEMBL28003369 | 0.82 | HPGD (0.40) | ALDH1A1TDP1HPGDTSHRCYP2A6 | |
| Formaldehyde SCHEMBL26618259 | 0.76 | TDP1 (0.48) | ALDH1A1TDP1TSHRCYP1A2CYP2A6 | |
| SCHEMBL29471000 | 0.73 | — | — |
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-104877666-B | There is luminescent material of aggregation-induced emission characteristic and its preparation method and application | 香港科技大学深圳研究院 | 2017-03-08 | — | — | CN | disclosed |