Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 6/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | FABP2 | P12104 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9172265 | 0.87 | ALDH1A1 (0.40) | ALDH1A1TSHRHSD17B10NPC1RAB9A | |
| SCHEMBL162647 | 0.84 | EPHX2 (0.53) | NPC1RAB9ATRPV1EPHX2TLR7 | |
| SCHEMBL1505766 | 0.83 | ALDH1A1 (0.40) | ALDH1A1TSHRHSD17B10NPC1RAB9A | |
| SCHEMBL2715757 | 0.82 | TSHR (0.59) | ALDH1A1TSHRHSD17B10EPHX2FAAH | |
| SCHEMBL9871408 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TSHRHSD17B10NPC1RAB9A | |
| SCHEMBL10910722 | 0.82 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10NPC1RAB9A | |
| SCHEMBL2091503 | 0.81 | MAPT (0.55) | ALDH1A1TSHRHSD17B10RAB9AMAPT | |
| SCHEMBL2091498 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TSHRHSD17B10NPC1RAB9A | |
| SCHEMBL9578494 | 0.79 | HSD17B10 (0.48) | ALDH1A1HSD17B10NPC1RAB9ATRPV1 | |
| SCHEMBL22815931 | 0.79 | AURKA (0.54) | NPC1RAB9ATRPV1EPHX2TLR7 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5047584-A | Process for the preparation of pentahaloethoxy benzoyl halide compounds | OCCIDENTAL CHEMICAL CORP. (US) | 1991-09-10 | — | — | US | disclosed |
| EP-0002906-B1 | NOVEL PERIMIDINES, THEIR PREPARATION, FORMULATIONS AND USE AS IMMUNOSUPPRESSIVES | ELI LILLY AND COMPANY (US) | 1982-04-14 | — | — | EP | disclosed |
| US-4294964-A | IMMUNOSUPRESSIVE AGENTS | ELI LILLY AND COMPANY (US) | 1981-10-13 | — | — | US | disclosed |
| US-4224326-A | 2-ARYL-1H-PERIMIDINES | ELI LILLY AND COMPANY (US) | 1980-09-23 | — | — | US | disclosed |
| EP-0002906-A2 | Novel perimidines, their preparation, formulations and use as immunosuppressives | ELI LILLY AND COMPANY (US) | 1979-07-11 | — | — | EP | disclosed |
| US-3960945-A | 4-[-(Alkoxy or polyhaloalkoxy)-benzamido]cyclohexanones | STERLING DRUG INC. (US) | 1976-06-01 | — | — | US | disclosed |