Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.56 |
| ▸ | HPGD | P15428 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.56 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.56 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | APOBEC3G | Q9HC16 | 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 | |
|---|---|---|---|---|
| SCHEMBL16720606 | 0.97 | ALDH1A1 (0.59) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL29287764 | 0.94 | ALDH1A1 (0.56) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| SCHEMBL28180148 | 0.94 | ALDH1A1 (0.56) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| Water SCHEMBL28848161 | 0.94 | ALDH1A1 (0.56) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| Methane SCHEMBL28282715 | 0.94 | ALDH1A1 (0.56) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| SCHEMBL2536328 | 0.94 | ALDH1A1 (0.62) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| Water SCHEMBL28112732 | 0.92 | ALDH1A1 (0.53) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| Fluoride SCHEMBL28228883 | 0.92 | ALDH1A1 (0.53) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| Hydrazine SCHEMBL28258313 | 0.92 | ALDH1A1 (0.53) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 | |
| Formaldehyde SCHEMBL28158920 | 0.89 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HPGDTSHRCYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107170974-B | A kind of carbon coating MoSe2/ graphene electro spinning nano fiber and preparation method thereof | 中南大学 | 2019-10-08 | — | — | CN | disclosed |
| CN-107170974-A | A kind of carbon coating MoSe2/ graphene electro spinning nano fiber and preparation method thereof | 中南大学 | 2017-09-15 | — | — | CN | disclosed |