Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | IKBKB | O14920 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL35312 | 0.91 | CYP1A2 (0.52) | CYP1A2IKBKBALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL9681001 | 0.90 | IKBKB (0.53) | CYP1A2IKBKBALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL2934548 | 0.89 | ALOX5 (0.52) | CYP1A2IKBKBALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL24432375 | 0.84 | IKBKB (0.46) | CYP1A2IKBKBALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL259164 | 0.84 | GSTP1 (0.47) | CYP1A2IKBKBALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL25799793 | 0.83 | CYP1A1 (0.51) | CYP1A2IKBKBALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL18903076 | 0.81 | CYP3A4 (0.56) | CYP1A2ALDH1A1CYP3A4HSD17B10HSD17B1 | |
| SCHEMBL1901543 | 0.81 | GSTP1 (0.48) | CYP1A2IKBKBALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL31302869 | 0.80 | CYP1A1 (0.49) | CYP1A2ALDH1A1HSD17B10HSD17B1HSD17B2 | |
| SCHEMBL557231 | 0.80 | GSTP1 (0.57) | CYP1A2ALDH1A1CYP3A4HSD17B10KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112585145-B | Polycyclic compound and organic light emitting device including the same | 株式会社LG化学 | 2023-09-29 | — | — | CN | disclosed |
| CN-112585145-A | Polycyclic compound and organic light emitting device including the same | 株式会社LG化学 | 2021-03-30 | — | — | CN | disclosed |
| US-5308523-A | Butylene-ethylene-styrene terpolymer block copolymer | TEXACO INC. (US) | 1994-05-03 | — | — | US | disclosed |