Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HPRT1 | P00492 | 4/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | WDR5 | P61964 | 1/20 | 0.31 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25108 | 0.89 | ALDH1A1 (0.55) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Hydroxyl Radical SCHEMBL28094644 | 0.87 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL27732677 | 0.87 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Methane SCHEMBL28133192 | 0.87 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL534974 | 0.85 | HPRT1 (0.58) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL18221904 | 0.81 | ALDH1A1 (0.61) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL28130707 | 0.81 | HPRT1 (0.48) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Pyridine SCHEMBL28157963 | 0.81 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| Triphenylene SCHEMBL28342090 | 0.81 | HPRT1 (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL20544263 | 0.79 | — | — |
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-106574038-A | Thermosetting resin composition and molded article thereof | 三菱化学株式会社 | 2017-04-19 | — | — | CN | disclosed |