Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | LMNA | P02545 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.48 |
| ▸ | RELA | Q04206 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | FPR1 | P21462 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28097991 | 1.00 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1GLABRCA1 | |
| SCHEMBL14382566 | 0.93 | ALDH1A1 (0.63) | ALDH1A1KMT2AMEN1GLABRCA1 | |
| SCHEMBL28098049 | 0.86 | KMT2A (0.63) | ALDH1A1KMT2AMEN1GLABRCA1 | |
| SCHEMBL27967103 | 0.86 | KMT2A (0.63) | ALDH1A1KMT2AMEN1GLABRCA1 | |
| Triethylene Glycol SCHEMBL28097993 | 0.83 | DAO (0.66) | ALDH1A1KMT2AMEN1NPC1RAB9A | |
| Thiophene Carboxylic Acid SCHEMBL28097978 | 0.81 | DAO (0.68) | ALDH1A1KMT2AMEN1NPC1RAB9A | |
| SCHEMBL25676025 | 0.81 | ALDH1A1 (0.54) | ALDH1A1KMT2AMEN1GLABRCA1 | |
| SCHEMBL27782199 | 0.81 | ALDH1A1 (0.54) | ALDH1A1KMT2AMEN1GLABRCA1 | |
| SCHEMBL1433300 | 0.79 | NPC1 (0.60) | ALDH1A1KMT2AMEN1GLABRCA1 | |
| SCHEMBL28433761 | 0.78 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1GLABRCA1 |
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-103804659-B | A kind of thieno with poly glycol monomethyl ether side chain [3,4-b] thiophene conjugated polymer material, its preparation method and application thereof | 中国科学院化学研究所 | 2016-09-21 | — | — | CN | disclosed |