Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGIR | P43119 | 5/20 | 0.49 |
| ▸ | PTGDR | Q13258 | 3/20 | 0.49 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | MDM4 | O15151 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6300623 | 0.90 | NR3C2 (0.57) | PTGIRPTGDRNR3C2ESR1ESR2 | |
| SCHEMBL31393772 | 0.86 | NR3C2 (0.55) | PTGIRNR3C2ESR1ESR2NPC1 | |
| SCHEMBL6294960 | 0.86 | NR3C2 (0.53) | PTGIRPTGDRNR3C2ESR1ESR2 | |
| SCHEMBL29946763 | 0.83 | ESR1 (0.55) | NR3C2ESR1ESR2NPC1RAB9A | |
| SCHEMBL9767710 | 0.83 | CES2 (0.53) | NR3C2ESR1ESR2NPC1RAB9A | |
| SCHEMBL6294911 | 0.82 | PTGIR (0.53) | PTGIRPTGDRNR3C2ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL29946651 | 0.82 | ESR1 (0.54) | NR3C2ESR1ESR2NPC1RAB9A | |
| SCHEMBL8075335 | 0.81 | CES2 (0.55) | NR3C2ESR1ESR2NPC1RAB9A | |
| SCHEMBL6295716 | 0.80 | HSD17B2 (0.49) | PTGIRPTGDRNR3C2NPC1RAB9A | |
| SCHEMBL11875597 | 0.77 | ESR1 (0.60) | NR3C2ESR1ESR2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-6897316-B2 | Substituted 2-phenyl-4-quinolone-3-carboxylic acid compounds and their use as antitumor agents | CHINA MEDICAL UNIVERSITY (TW) | 2005-05-24 | — | — | US | disclosed |