Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HEXA | P06865 | 1/20 | 0.38 |
| ▸ | HEXB | P07686 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25011940 | 0.91 | CD44 (0.54) | CD44TDP1CYP3A4ADORA2ATSHR | |
| SCHEMBL27458150 | 0.91 | CYP3A4 (0.48) | CD44TDP1CYP3A4ADORA2ATSHR | |
| SCHEMBL3789888 | 0.86 | CD44 (0.50) | CD44TDP1CYP3A4TSHRPIK3CA | |
| SCHEMBL1044029 | 0.85 | ACHE (0.44) | CD44TDP1CYP3A4TSHRPIK3CA | |
| SCHEMBL3793739 | 0.84 | CYP3A4 (0.54) | CD44TDP1CYP3A4ADORA2ATSHR | |
| SCHEMBL9681067 | 0.83 | CD44 (0.46) | CD44TDP1CYP3A4TSHRPIK3CA | |
| SCHEMBL9680722 | 0.83 | SENP1 (0.48) | CD44TDP1CYP3A4TSHRPIK3CA | |
| SCHEMBL4843094 | 0.83 | ADORA2A (0.50) | CD44TDP1CYP3A4ADORA2ATSHR | |
| Hydrochloric Acid SCHEMBL9312867 | 0.82 | CYP3A4 (0.58) | CD44TDP1CYP3A4TSHRPIK3CA | |
| SCHEMBL4910768 | 0.81 | ADORA2A (0.41) | CD44TDP1CYP3A4ADORA2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3514163-B1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | SAMSUNG ELECTRONICS CO LTD (KR) | 2020-05-13 | — | — | EP | disclosed |
| 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 |