Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9319110 | 0.90 | CYP1A2 (0.52) | IKBKBCYP1A2CYP3A4TDP1HSD17B1 | |
| SCHEMBL1133131 | 0.88 | IKBKB (0.54) | IKBKBCYP1A2CYP3A4TDP1HSD17B1 | |
| SCHEMBL35312 | 0.82 | CYP1A2 (0.52) | IKBKBCYP1A2CYP3A4TDP1HSD17B1 | |
| SCHEMBL25011940 | 0.82 | CD44 (0.54) | CYP1A2CYP3A4TDP1SRCALDH1A1 | |
| SCHEMBL3358215 | 0.80 | ALOX5 (0.52) | IKBKBCYP1A2CYP3A4TDP1HSD17B1 | |
| SCHEMBL2934548 | 0.80 | ALOX5 (0.52) | IKBKBCYP1A2CYP3A4HSD17B1HSD17B2 | |
| SCHEMBL6662389 | 0.79 | IKBKB (0.46) | IKBKBCYP1A2CYP3A4TDP1HSD17B1 | |
| SCHEMBL28441429 | 0.77 | ERN1 (0.50) | IKBKBCYP1A2CYP3A4TDP1HSD17B1 | |
| SCHEMBL27834726 | 0.76 | GSTP1 (0.48) | IKBKBCYP1A2CYP3A4TDP1HSD17B1 | |
| SCHEMBL1133224 | 0.76 | CYP2A6 (0.54) | IKBKBCYP1A2CYP3A4TDP1HSD17B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5153226-A | Administering as anticholesterol agents, for atherosclerosis | WARNER-LAMBERT COMPANY (US) | 1992-10-06 | — | — | US | disclosed |
| EP-0415413-A1 | Acat inhibitors | WARNER-LAMBERT COMPANY (US) | 1991-03-06 | — | — | EP | disclosed |