Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.35 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL9113437 | 0.92 | SRD5A2 (0.36) | GPBAR1SRD5A2FNTAFNTBCYP17A1 | |
| SCHEMBL9113792 | 0.90 | GPBAR1 (0.36) | GPBAR1SRD5A2 | |
| SCHEMBL8927036 | 0.85 | SRD5A2 (0.33) | SRD5A2 | |
| SCHEMBL8063840 | 0.82 | GPBAR1 (0.37) | GPBAR1BCHEACHESRD5A2FNTA | |
| SCHEMBL8931575 | 0.81 | FNTA (0.36) | GPBAR1SRD5A2FNTAFNTB | |
| SCHEMBL9114171 | 0.80 | FAAH (0.38) | GPBAR1SRD5A2FNTAFNTB | |
| SCHEMBL8497746 | 0.80 | GPBAR1 (0.36) | GPBAR1BCHEACHESRD5A2FNTA | |
| SCHEMBL7745521 | 0.79 | RORC (0.36) | GPBAR1BCHEACHESRD5A2FNTA | |
| SCHEMBL8722384 | 0.79 | FNTA (0.35) | GPBAR1SRD5A2FNTAFNTB | |
| SCHEMBL8726845 | 0.78 | G6PD (0.42) | GPBAR1SRD5A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0649306-A4 | ESTER DERIVATIVES OF 4-AZA-STEROIDS. | MERCK & CO INC (US) | 1995-08-23 | — | — | EP | claimed |
| EP-0649306-A1 | ESTER DERIVATIVES OF 4-AZA-STEROIDS | MERCK & CO. INC. (US) | 1995-04-26 | — | — | EP | claimed |
| EP-0649306-A4 | ESTER DERIVATIVES OF 4-AZA-STEROIDS. | MERCK & CO INC (US) | 1995-08-23 | — | — | EP | disclosed |
| EP-0649306-A1 | ESTER DERIVATIVES OF 4-AZA-STEROIDS | MERCK & CO. INC. (US) | 1995-04-26 | — | — | EP | disclosed |