Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLAU | P00749 | 2/20 | 0.61 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.50 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | TDO2 | P48775 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.41 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10713270 | 0.84 | PLAU (0.59) | PLAUCTDSP1CYP1A2GRIN2DGRIN2A | |
| SCHEMBL2115683 | 0.83 | CYP1A2 (0.62) | PLAUCTDSP1CYP1A2GRIN2DGRIN2A | |
| SCHEMBL29857010 | 0.83 | CYP1A2 (0.62) | PLAUCTDSP1CYP1A2GRIN2DGRIN2A | |
| SCHEMBL430311 | 0.80 | CYP1A2 (0.59) | PLAUCTDSP1CYP1A2GRIN2DGRIN2A | |
| SCHEMBL30323818 | 0.80 | CYP1A2 (0.59) | PLAUCTDSP1CYP1A2GRIN2DGRIN2A | |
| SCHEMBL9331048 | 0.79 | AURKA (0.53) | PLAUCTDSP1CYP1A2GRIN2DGRIN2A | |
| SCHEMBL10796264 | 0.79 | GRIN2D (0.67) | PLAUCTDSP1GRIN2DGRIN2AGRIN2B | |
| SCHEMBL3316203 | 0.78 | CYP1A2 (0.56) | PLAUCTDSP1CYP1A2GRIN2DGRIN2A | |
| SCHEMBL30994717 | 0.78 | CYP1A2 (0.56) | PLAUCTDSP1CYP1A2GRIN2DGRIN2A | |
| SCHEMBL7754286 | 0.78 | ALDH1A1 (0.56) | PLAUCYP1A2ALOX15TSHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5776931-A | TREATING PHYSIOLOGICAL DISORDER ASSOCIATED WITH EXCESS OF NEUROPEPTIDE Y | ELI LILLY AND COMPANY (US) | 1998-07-07 | — | — | US | disclosed |
| US-5093495-A | Benzoheterocyclic compounds | SHELL OIL COMPANY (US) | 1992-03-03 | — | — | US | disclosed |
| US-5071996-A | Benzheterocyclic compounds | SHELL OIL COMPANY (US) | 1991-12-10 | — | — | US | disclosed |